 vasp.5.2.2 15Apr09 complex 
 executed on              unknown date 2014.10.30  16:25:45
 running on   32 nodes
 distr:  one band on   16 nodes,    2 groups


--------------------------------------------------------------------------------------------------------


 INCAR:
 POTCAR:   PAW_PBE Al 04Jan2001                   
 POTCAR:   PAW_PBE Al 04Jan2001                   
   VRHFIN =Al: s2p1                                                             
   LEXCH  = PE                                                                  
   EATOM  =    53.5387 eV,    3.9350 Ry                                         
                                                                                
   TITEL  = PAW_PBE Al 04Jan2001                                                
   LULTRA =        F    use ultrasoft PP ?                                      
   IUNSCR =        1    unscreen: 0-lin 1-nonlin 2-no                           
   RPACOR =    1.500    partial core radius                                     
   POMASS =   26.982; ZVAL   =    3.000    mass and valenz                      
   RCORE  =    1.900    outmost cutoff radius                                   
   RWIGS  =    2.650; RWIGS  =    1.402    wigner-seitz radius (au A)           
   ENMAX  =  240.300; ENMIN  =  180.225 eV                                      
   ICORE  =        2    local potential                                         
   LCOR   =        T    correct aug charges                                     
   LPAW   =        T    paw PP                                                  
   EAUG   =  291.052                                                            
   DEXC   =    -.041                                                            
   RMAX   =    2.974    core radius for proj-oper                               
   RAUG   =    1.300    factor for augmentation sphere                          
   RDEP   =    1.966    radius for radial grids                                 
   QCUT   =   -4.203; QGAM   =    8.405    optimization parameters              
                                                                                
   Description                                                                  
     l     E      TYP  RCUT    TYP  RCUT                                        
     0   .000     23  1.900                                                     
     0   .000     23  1.900                                                     
     1   .000     23  1.900                                                     
     1  1.000     23  1.900                                                     
     2   .000      7  1.900                                                     
  local pseudopotential read in
  partial core-charges read in
  atomic valenz-charges read in
  non local Contribution for L=            0  read in
    real space projection operators read in
  non local Contribution for L=            0  read in
    real space projection operators read in
  non local Contribution for L=            1  read in
    real space projection operators read in
  non local Contribution for L=            1  read in
    real space projection operators read in
    PAW grid and wavefunctions read in
 
   number of l-projection  operators is LMAX  =            4
   number of lm-projection operators is LMMAX =            8
 
 PAW_PBE Al 04Jan2001                   :
 energy of atom  1       EATOM=  -53.5387
 kinetic energy error for atom=    0.0002 (will be added to EATOM!!)
 
 
 POSCAR: Al1                                     
  positions in direct lattice
  No initial velocities read in
 exchange correlation table for  LEXCH =        8
   RHO(1)=    0.500       N(1)  =     2000
   RHO(2)=  100.500       N(2)  =     4000

 VTST: version 2.03d, (02/18/09)

 CHAIN: initializing optimizer
 
 OPT: Using VASP Dynamics algorithm
 CHAIN: Read ICHAIN             0
 


--------------------------------------------------------------------------------------------------------


 ion  position               nearest neighbor table
   1  0.000  0.000  0.000-
 
  LATTYP: Found a face centered cubic cell.
 ALAT       =     4.0326380000
  
  Lattice vectors:
  
 A1 = (   0.0000000000,   2.0163190000,   2.0163190000)
 A2 = (   2.0163190000,   0.0000000000,   2.0163190000)
 A3 = (   2.0163190000,   2.0163190000,   0.0000000000)
 Subroutine PRICEL returns:
 Original cell was already a primitive cell.
 

Analysis of symmetry for initial positions (statically):

 Routine SETGRP: Setting up the symmetry group for a 
 face centered cubic supercell.


 Subroutine GETGRP returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial point group operations.


The static configuration has the point symmetry O_h .

Analysis of symmetry for dynamics (positions and initial velocities):

 Subroutine DYNSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     1 'primitive' translations


The dynamic configuration has the point symmetry O_h .

Analysis of magnetic symmetry:

 Subroutine MAGSYM returns: Found 48 space group operations
 (whereof 48 operations were pure point group operations)
 out of a pool of 48 trial space group operations
 (whereof 48 operations were pure point group operations)
 and found also     1 'primitive' translations


The magnetic configuration has the point symmetry O_h .
 
 
 KPOINTS: Automatic kpoint scheme                 

Automatic generation of k-mesh.
 
 Subroutine IBZKPT returns following result:
 ===========================================
 
 Found    220 irreducible k-points:
 
 Following reciprocal coordinates:
            Coordinates               Weight
  0.000000  0.000000  0.000000      1.000000
  0.052632  0.000000  0.000000      8.000000
  0.105263  0.000000  0.000000      8.000000
  0.157895  0.000000  0.000000      8.000000
  0.210526  0.000000  0.000000      8.000000
  0.263158  0.000000  0.000000      8.000000
  0.315789  0.000000  0.000000      8.000000
  0.368421  0.000000  0.000000      8.000000
  0.421053  0.000000  0.000000      8.000000
  0.473684  0.000000  0.000000      8.000000
  0.052632  0.052632  0.000000      6.000000
  0.105263  0.052632  0.000000     24.000000
  0.157895  0.052632  0.000000     24.000000
  0.210526  0.052632  0.000000     24.000000
  0.263158  0.052632  0.000000     24.000000
  0.315789  0.052632  0.000000     24.000000
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 -0.473684  0.052632  0.000000     24.000000
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  0.105263  0.105263  0.000000      6.000000
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  0.263158  0.263158  0.000000      6.000000
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 -0.315789  0.315789  0.000000     12.000000
  0.368421  0.368421  0.000000      6.000000
  0.421053  0.368421  0.000000     24.000000
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  0.157895  0.105263  0.052632     24.000000
  0.210526  0.105263  0.052632     48.000000
  0.263158  0.105263  0.052632     48.000000
  0.315789  0.105263  0.052632     48.000000
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 -0.473684  0.105263  0.052632     48.000000
  0.210526  0.157895  0.052632     24.000000
  0.263158  0.157895  0.052632     48.000000
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 -0.473684  0.157895  0.052632     48.000000
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 -0.315789  0.157895  0.052632     48.000000
 -0.263158  0.157895  0.052632     48.000000
 -0.210526  0.157895  0.052632     48.000000
 -0.157895  0.157895  0.052632     48.000000
 -0.105263  0.157895  0.052632     24.000000
  0.263158  0.210526  0.052632     24.000000
  0.315789  0.210526  0.052632     48.000000
  0.368421  0.210526  0.052632     48.000000
  0.421053  0.210526  0.052632     48.000000
  0.473684  0.210526  0.052632     48.000000
 -0.473684  0.210526  0.052632     48.000000
 -0.421053  0.210526  0.052632     48.000000
 -0.368421  0.210526  0.052632     48.000000
 -0.315789  0.210526  0.052632     48.000000
 -0.263158  0.210526  0.052632     48.000000
 -0.210526  0.210526  0.052632     48.000000
 -0.157895  0.210526  0.052632     24.000000
  0.315789  0.263158  0.052632     24.000000
  0.368421  0.263158  0.052632     48.000000
  0.421053  0.263158  0.052632     48.000000
  0.473684  0.263158  0.052632     48.000000
 -0.473684  0.263158  0.052632     48.000000
 -0.421053  0.263158  0.052632     48.000000
 -0.368421  0.263158  0.052632     48.000000
 -0.315789  0.263158  0.052632     48.000000
 -0.263158  0.263158  0.052632     48.000000
 -0.210526  0.263158  0.052632     24.000000
  0.368421  0.315789  0.052632     24.000000
  0.421053  0.315789  0.052632     48.000000
  0.473684  0.315789  0.052632     48.000000
 -0.473684  0.315789  0.052632     48.000000
 -0.421053  0.315789  0.052632     48.000000
 -0.368421  0.315789  0.052632     48.000000
 -0.315789  0.315789  0.052632     48.000000
 -0.263158  0.315789  0.052632     24.000000
  0.421053  0.368421  0.052632     24.000000
  0.473684  0.368421  0.052632     48.000000
 -0.473684  0.368421  0.052632     48.000000
 -0.421053  0.368421  0.052632     48.000000
 -0.368421  0.368421  0.052632     48.000000
 -0.315789  0.368421  0.052632     24.000000
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 -0.368421  0.421053  0.052632     24.000000
 -0.473684  0.473684  0.052632     24.000000
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  0.315789  0.210526  0.105263     24.000000
  0.368421  0.210526  0.105263     48.000000
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  0.368421  0.263158  0.105263     24.000000
  0.421053  0.263158  0.105263     48.000000
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 -0.473684  0.263158  0.105263     48.000000
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 -0.315789  0.263158  0.105263     48.000000
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 -0.210526  0.263158  0.105263     48.000000
 -0.157895  0.263158  0.105263     24.000000
  0.421053  0.315789  0.105263     24.000000
  0.473684  0.315789  0.105263     48.000000
 -0.473684  0.315789  0.105263     48.000000
 -0.421053  0.315789  0.105263     48.000000
 -0.368421  0.315789  0.105263     48.000000
 -0.315789  0.315789  0.105263     48.000000
 -0.263158  0.315789  0.105263     48.000000
 -0.210526  0.315789  0.105263     24.000000
  0.473684  0.368421  0.105263     24.000000
 -0.473684  0.368421  0.105263     48.000000
 -0.421053  0.368421  0.105263     48.000000
 -0.368421  0.368421  0.105263     48.000000
 -0.315789  0.368421  0.105263     48.000000
 -0.263158  0.368421  0.105263     24.000000
 -0.473684  0.421053  0.105263     24.000000
 -0.421053  0.421053  0.105263     48.000000
 -0.368421  0.421053  0.105263     48.000000
 -0.315789  0.421053  0.105263     24.000000
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  0.473684  0.315789  0.157895     24.000000
 -0.473684  0.315789  0.157895     48.000000
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 -0.315789  0.473684  0.210526     24.000000
 -0.263158  0.473684  0.210526     24.000000
 
 Following cartesian coordinates:
            Coordinates               Weight
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  0.156617 -0.156617 -0.026103     24.000000
  0.143565 -0.143565 -0.013051     24.000000
  0.130514 -0.130514  0.000000     12.000000
  0.000000  0.000000  0.156617      6.000000
 -0.013051  0.013051  0.169668     24.000000
 -0.026103  0.026103  0.182720     24.000000
 -0.039154  0.039154  0.195771     24.000000
  0.195771 -0.195771 -0.039154     24.000000
  0.182720 -0.182720 -0.026103     24.000000
  0.169668 -0.169668 -0.013051     24.000000
  0.156617 -0.156617  0.000000     12.000000
  0.000000  0.000000  0.182720      6.000000
 -0.013051  0.013051  0.195771     24.000000
 -0.026103  0.026103  0.208822     24.000000
  0.208822 -0.208822 -0.026103     24.000000
  0.195771 -0.195771 -0.013051     24.000000
  0.182720 -0.182720  0.000000     12.000000
  0.000000  0.000000  0.208822      6.000000
 -0.013051  0.013051  0.221874     24.000000
  0.221874 -0.221874 -0.013051     24.000000
  0.208822 -0.208822  0.000000     12.000000
  0.000000  0.000000  0.234925      6.000000
  0.234925 -0.234925  0.000000     12.000000
  0.000000  0.026103  0.052206     24.000000
 -0.013051  0.039154  0.065257     48.000000
 -0.026103  0.052206  0.078308     48.000000
 -0.039154  0.065257  0.091360     48.000000
 -0.052206  0.078308  0.104411     48.000000
 -0.065257  0.091360  0.117463     48.000000
 -0.078308  0.104411  0.130514     48.000000
  0.156617 -0.130514 -0.104411     48.000000
  0.000000  0.026103  0.078308     24.000000
 -0.013051  0.039154  0.091360     48.000000
 -0.026103  0.052206  0.104411     48.000000
 -0.039154  0.065257  0.117463     48.000000
 -0.052206  0.078308  0.130514     48.000000
 -0.065257  0.091360  0.143565     48.000000
  0.169668 -0.143565 -0.091360     48.000000
  0.156617 -0.130514 -0.078308     48.000000
  0.143565 -0.117463 -0.065257     48.000000
  0.130514 -0.104411 -0.052206     48.000000
  0.117463 -0.091360 -0.039154     48.000000
  0.104411 -0.078308 -0.026103     48.000000
  0.091360 -0.065257 -0.013051     48.000000
  0.078308 -0.052206  0.000000     24.000000
  0.000000  0.026103  0.104411     24.000000
 -0.013051  0.039154  0.117463     48.000000
 -0.026103  0.052206  0.130514     48.000000
 -0.039154  0.065257  0.143565     48.000000
 -0.052206  0.078308  0.156617     48.000000
  0.182720 -0.156617 -0.078308     48.000000
  0.169668 -0.143565 -0.065257     48.000000
  0.156617 -0.130514 -0.052206     48.000000
  0.143565 -0.117463 -0.039154     48.000000
  0.130514 -0.104411 -0.026103     48.000000
  0.117463 -0.091360 -0.013051     48.000000
  0.104411 -0.078308  0.000000     24.000000
  0.000000  0.026103  0.130514     24.000000
 -0.013051  0.039154  0.143565     48.000000
 -0.026103  0.052206  0.156617     48.000000
 -0.039154  0.065257  0.169668     48.000000
  0.195771 -0.169668 -0.065257     48.000000
  0.182720 -0.156617 -0.052206     48.000000
  0.169668 -0.143565 -0.039154     48.000000
  0.156617 -0.130514 -0.026103     48.000000
  0.143565 -0.117463 -0.013051     48.000000
  0.130514 -0.104411  0.000000     24.000000
  0.000000  0.026103  0.156617     24.000000
 -0.013051  0.039154  0.169668     48.000000
 -0.026103  0.052206  0.182720     48.000000
  0.208822 -0.182720 -0.052206     48.000000
  0.195771 -0.169668 -0.039154     48.000000
  0.182720 -0.156617 -0.026103     48.000000
  0.169668 -0.143565 -0.013051     48.000000
  0.156617 -0.130514  0.000000     24.000000
  0.000000  0.026103  0.182720     24.000000
 -0.013051  0.039154  0.195771     48.000000
  0.221874 -0.195771 -0.039154     48.000000
  0.208822 -0.182720 -0.026103     48.000000
  0.195771 -0.169668 -0.013051     48.000000
  0.182720 -0.156617  0.000000     24.000000
  0.000000  0.026103  0.208822     24.000000
  0.234925 -0.208822 -0.026103     48.000000
  0.221874 -0.195771 -0.013051     48.000000
  0.208822 -0.182720  0.000000     24.000000
  0.247977 -0.221874 -0.013051     24.000000
  0.234925 -0.208822  0.000000     24.000000
  0.000000  0.052206  0.104411     24.000000
 -0.013051  0.065257  0.117463     48.000000
 -0.026103  0.078308  0.130514     48.000000
 -0.039154  0.091360  0.143565     48.000000
  0.195771 -0.143565 -0.091360     48.000000
  0.182720 -0.130514 -0.078308     48.000000
  0.000000  0.052206  0.130514     24.000000
 -0.013051  0.065257  0.143565     48.000000
 -0.026103  0.078308  0.156617     48.000000
  0.208822 -0.156617 -0.078308     48.000000
  0.195771 -0.143565 -0.065257     48.000000
  0.182720 -0.130514 -0.052206     48.000000
  0.169668 -0.117463 -0.039154     48.000000
  0.156617 -0.104411 -0.026103     48.000000
  0.143565 -0.091360 -0.013051     48.000000
  0.130514 -0.078308  0.000000     24.000000
  0.000000  0.052206  0.156617     24.000000
 -0.013051  0.065257  0.169668     48.000000
  0.221874 -0.169668 -0.065257     48.000000
  0.208822 -0.156617 -0.052206     48.000000
  0.195771 -0.143565 -0.039154     48.000000
  0.182720 -0.130514 -0.026103     48.000000
  0.169668 -0.117463 -0.013051     48.000000
  0.156617 -0.104411  0.000000     24.000000
  0.000000  0.052206  0.182720     24.000000
  0.234925 -0.182720 -0.052206     48.000000
  0.221874 -0.169668 -0.039154     48.000000
  0.208822 -0.156617 -0.026103     48.000000
  0.195771 -0.143565 -0.013051     48.000000
  0.182720 -0.130514  0.000000     24.000000
  0.247977 -0.195771 -0.039154     24.000000
  0.234925 -0.182720 -0.026103     48.000000
  0.221874 -0.169668 -0.013051     48.000000
  0.208822 -0.156617  0.000000     24.000000
  0.247977 -0.195771 -0.013051     24.000000
  0.234925 -0.182720  0.000000     24.000000
  0.000000  0.078308  0.156617     24.000000
  0.234925 -0.156617 -0.078308     48.000000
  0.221874 -0.143565 -0.065257     48.000000
  0.208822 -0.130514 -0.052206     48.000000
  0.247977 -0.169668 -0.065257     24.000000
  0.234925 -0.156617 -0.052206     48.000000
  0.221874 -0.143565 -0.039154     48.000000
  0.208822 -0.130514 -0.026103     48.000000
  0.195771 -0.117463 -0.013051     48.000000
  0.182720 -0.104411  0.000000     24.000000
  0.247977 -0.169668 -0.039154     24.000000
  0.234925 -0.156617 -0.026103     48.000000
  0.221874 -0.143565 -0.013051     48.000000
  0.208822 -0.130514  0.000000     24.000000
  0.247977 -0.169668 -0.013051     24.000000
  0.234925 -0.156617  0.000000     24.000000
  0.247977 -0.143565 -0.039154     24.000000
  0.234925 -0.130514 -0.026103     48.000000
  0.247977 -0.143565 -0.013051     24.000000
  0.234925 -0.130514  0.000000     24.000000
 
 TETIRR: Found    955 inequivalent tetrahedra from    41154


--------------------------------------------------------------------------------------------------------




 Dimension of arrays:
   k-points           NKPTS =    220   k-points in BZ     NKDIM =    220   number of bands    NBANDS=      6
   number of dos      NEDOS =    301   number of ions     NIONS =      1
   non local maximal  LDIM  =      4   non local SUM 2l+1 LMDIM =      8
   total plane-waves  NPLWV =  13824
   max r-space proj   IRMAX =      1   max aug-charges    IRDMAX=  33012
   dimension x,y,z NGX =    24 NGY =   24 NGZ =   24
   dimension x,y,z NGXF=    48 NGYF=   48 NGZF=   48
   support grid    NGXF=    48 NGYF=   48 NGZF=   48
   ions per type =               1
 NGX,Y,Z   is equivalent  to a cutoff of  13.99, 13.99, 13.99 a.u.
 NGXF,Y,Z  is equivalent  to a cutoff of  27.98, 27.98, 27.98 a.u.


 I would recommend the setting:
   dimension x,y,z NGX =    21 NGY =   21 NGZ =   21
 SYSTEM =  unknown system                          
 POSCAR =  Al1                                     

 Startparameter for this run:
   NWRITE =      2    write-flag & timer
   PREC   = accura    medium, high low
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom 10-const
   ISPIN  =      2    spin polarized calculation?
   LNONCOLLINEAR =      F non collinear calculations
   LSORBIT =      F    spin-orbit coupling
   INIWAV =      1    electr: 0-lowe 1-rand  2-diag
   LASPH  =      F    aspherical Exc in radial PAW
   METAGGA=      F    non-selfconsistent MetaGGA calc.

 Electronic Relaxation 1
   ENCUT  =  520.0 eV  38.22 Ry    6.18 a.u.   5.30  5.30  5.30*2*pi/ulx,y,z
   ENINI  =  520.0     initial cutoff
   ENAUG  =  291.1 eV  augmentation charge cutoff
   NELM   =    100;   NELMIN=  2; NELMDL=  0     # of ELM steps 
   EDIFF  = 0.1E-05   stopping-criterion for ELM
   LREAL  =      F    real-space projection
   LCOMPAT=      F    compatible to vasp.4.4
   LREAL_COMPAT= F    compatible to vasp.4.5.1-3
   GGA_COMPAT  = T    GGA compatible to vasp.4.4-vasp.4.6
   LMAXPAW     = -100 max onsite density
   LMAXMIX     =    2 max onsite mixed and CHGCAR
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   ROPT   =    0.00000
 Ionic relaxation
   EDIFFG = 0.1E-04   stopping-criterion for IOM
   NSW    =      0    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      1    inner block; outer block 
   IBRION =     -1    ionic relax: 0-MD 1-quasi-New 2-CG
   NFREE  =      0    steps in history (QN), initial steepest desc. (CG)
   ISIF   =      3    stress and relaxation
   IWAVPR =     10    prediction:  0-non 1-charg 2-wave 3-comb
   ISYM   =      2    0-nonsym 1-usesym 2-fastsym
   LCORR  =      T    Harris-Foulkes like correction to forces

   POTIM  = 0.5000    time-step for ionic-motion
   TEIN   =    0.0    initial temperature
   TEBEG  =    0.0;   TEEND  =   0.0 temperature during run
   SMASS  =  -3.00    Nose mass-parameter (am)
   estimated Nose-frequenzy (Omega)   =  0.10E-29 period in steps =****** mass=  -0.186E-27a.u.
   NPACO  =    256;   APACO  = 16.0  distance and # of slots for P.C.
   PSTRESS=    0.0 pullay stress

  Mass of Ions in am
   POMASS =  26.98
  Ionic Valenz
   ZVAL   =   3.00
  Atomic Wigner-Seitz radii
   RWIGS  =  -1.00
   NELECT =       3.0000    total number of electrons
   NUPDOWN=      -1.0000    fix difference up-down

 DOS related values:
   EMIN   =  10.00;   EMAX   =-10.00  energy-range for DOS
   EFERMI =   0.00
   ISMEAR =    -5;   SIGMA  =   0.20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic relaxation 2 (details)
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation
   IMIX   =      4    mixing-type and parameters
     AMIX     =   0.40;   BMIX     =  1.00
     AMIX_MAG =   1.60;   BMIX_MAG =  1.00
     AMIN     =   0.10
     WC   =   100.;   INIMIX=   1;  MIXPRE=   1

 Intra band minimization:
   WEIMIN = 0.0000     energy-eigenvalue tresh-hold
   EBREAK =  0.50E-07  absolut break condition
   DEPER  =   0.30     relativ break condition  

   TIME   =   0.40     timestep for ELM

  volume/ion in A,a.u.               =      16.39       110.64
  Fermi-wavevector in a.u.,A,eV,Ry     =   0.929421  1.756352 11.753041  0.863824
  Thomas-Fermi vector in A             =   2.055702
 
 Write flags
   LWAVE  =      F    write WAVECAR
   LCHARG =      T    write CHGCAR
   LVTOT  =      F    write LOCPOT, local potential
   LELF   =      F    write electronic localiz. function (ELF)
   LORBIT =     11    0 simple, 1 ext, 2 COOP (PROOUT)


 Dipole corrections
   LMONO  =      F    monopole corrections only (constant potential shift)
   LDIPOL =      F    correct potential (dipole corrections)
   IDIPOL =      0    1-x, 2-y, 3-z, 4-all directions 
   EPSILON=  1.0000000 bulk dielectric constant

 Exchange correlation treatment:
   GGA     =    --    GGA type
   LEXCH   =     8    internal setting for exchange type
   VOSKOWN=      0    Vosko Wilk Nusair interpolation
   LHFCALC =     F    Hartree Fock is set to
   LHFONE  =     F    Hartree Fock one center treatment
   AEXX    =    0.0000 exact exchange contribution

 Linear response parameters
   LEPSILON=     F    determine dielectric tensor
   LRPA    =     F    only Hartree local field effects (RPA)
   LNABLA  =     F    use nabla operator in PAW spheres
   LVEL    =     F    velocity operator in full k-point grid
   LINTERFAST=   F  fast interpolation
   KINTER  =     0    interpolate to denser k-point grid
   CSHIFT  =0.1000    complex shift for real part using Kramers Kronig
   OMEGAMAX=  -1.0    maximum frequency

 Orbital magnetization related:
   ORBITALMAG=     F  switch on orbital magnetization
   LCHIMAG   =     F  perturbation theory with respect to B field



--------------------------------------------------------------------------------------------------------


 Static calculation
 charge density and potential will be updated during run
 spin polarized calculation
 Variant of blocked Davidson
 Davidson routine will perform the subspace rotation
 perform sub-space diagonalisation
    after iterative eigenvector-optimisation
 modified Broyden-mixing scheme, WC =      100.0
 initial mixing is a Kerker type mixing with AMIX =  0.4000 and BMIX =      1.0000
 Hartree-type preconditioning will be used
 using additional bands             4
 reciprocal scheme for non local part
 use partial core corrections
 calculate Harris-corrections to forces 
   (improved forces if not selfconsistent)
 use gradient corrections 
 use of overlap-Matrix (Vanderbilt PP)
 Fermi weights with tetrahedron method with Bloechl corrections


--------------------------------------------------------------------------------------------------------


  energy-cutoff  :      520.00
  volume of cell :       16.39
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.016319000  2.016319000    -0.247976635  0.247976635  0.247976635
     2.016319000  0.000000000  2.016319000     0.247976635 -0.247976635  0.247976635
     2.016319000  2.016319000  0.000000000     0.247976635  0.247976635 -0.247976635

  length of vectors
     2.851505676  2.851505676  2.851505676     0.429508130  0.429508130  0.429508130


 
 k-points in units of 2pi/SCALE and weight: Automatic kpoint scheme                 
   0.00000000  0.00000000  0.00000000       0.000
  -0.01305140  0.01305140  0.01305140       0.001
  -0.02610280  0.02610280  0.02610280       0.001
  -0.03915421  0.03915421  0.03915421       0.001
  -0.05220561  0.05220561  0.05220561       0.001
  -0.06525701  0.06525701  0.06525701       0.001
  -0.07830841  0.07830841  0.07830841       0.001
  -0.09135981  0.09135981  0.09135981       0.001
  -0.10441121  0.10441121  0.10441121       0.001
  -0.11746262  0.11746262  0.11746262       0.001
   0.00000000  0.00000000  0.02610280       0.001
  -0.01305140  0.01305140  0.03915421       0.003
  -0.02610280  0.02610280  0.05220561       0.003
  -0.03915421  0.03915421  0.06525701       0.003
  -0.05220561  0.05220561  0.07830841       0.003
  -0.06525701  0.06525701  0.09135981       0.003
  -0.07830841  0.07830841  0.10441121       0.003
  -0.09135981  0.09135981  0.11746262       0.003
  -0.10441121  0.10441121  0.13051402       0.003
   0.13051402 -0.13051402 -0.10441121       0.003
   0.11746262 -0.11746262 -0.09135981       0.003
   0.10441121 -0.10441121 -0.07830841       0.003
   0.09135981 -0.09135981 -0.06525701       0.003
   0.07830841 -0.07830841 -0.05220561       0.003
   0.06525701 -0.06525701 -0.03915421       0.003
   0.05220561 -0.05220561 -0.02610280       0.003
   0.03915421 -0.03915421 -0.01305140       0.003
   0.02610280 -0.02610280  0.00000000       0.002
   0.00000000  0.00000000  0.05220561       0.001
  -0.01305140  0.01305140  0.06525701       0.003
  -0.02610280  0.02610280  0.07830841       0.003
  -0.03915421  0.03915421  0.09135981       0.003
  -0.05220561  0.05220561  0.10441121       0.003
  -0.06525701  0.06525701  0.11746262       0.003
  -0.07830841  0.07830841  0.13051402       0.003
  -0.09135981  0.09135981  0.14356542       0.003
   0.14356542 -0.14356542 -0.09135981       0.003
   0.13051402 -0.13051402 -0.07830841       0.003
   0.11746262 -0.11746262 -0.06525701       0.003
   0.10441121 -0.10441121 -0.05220561       0.003
   0.09135981 -0.09135981 -0.03915421       0.003
   0.07830841 -0.07830841 -0.02610280       0.003
   0.06525701 -0.06525701 -0.01305140       0.003
   0.05220561 -0.05220561  0.00000000       0.002
   0.00000000  0.00000000  0.07830841       0.001
  -0.01305140  0.01305140  0.09135981       0.003
  -0.02610280  0.02610280  0.10441121       0.003
  -0.03915421  0.03915421  0.11746262       0.003
  -0.05220561  0.05220561  0.13051402       0.003
  -0.06525701  0.06525701  0.14356542       0.003
  -0.07830841  0.07830841  0.15661682       0.003
   0.15661682 -0.15661682 -0.07830841       0.003
   0.14356542 -0.14356542 -0.06525701       0.003
   0.13051402 -0.13051402 -0.05220561       0.003
   0.11746262 -0.11746262 -0.03915421       0.003
   0.10441121 -0.10441121 -0.02610280       0.003
   0.09135981 -0.09135981 -0.01305140       0.003
   0.07830841 -0.07830841  0.00000000       0.002
   0.00000000  0.00000000  0.10441121       0.001
  -0.01305140  0.01305140  0.11746262       0.003
  -0.02610280  0.02610280  0.13051402       0.003
  -0.03915421  0.03915421  0.14356542       0.003
  -0.05220561  0.05220561  0.15661682       0.003
  -0.06525701  0.06525701  0.16966822       0.003
   0.16966822 -0.16966822 -0.06525701       0.003
   0.15661682 -0.15661682 -0.05220561       0.003
   0.14356542 -0.14356542 -0.03915421       0.003
   0.13051402 -0.13051402 -0.02610280       0.003
   0.11746262 -0.11746262 -0.01305140       0.003
   0.10441121 -0.10441121  0.00000000       0.002
   0.00000000  0.00000000  0.13051402       0.001
  -0.01305140  0.01305140  0.14356542       0.003
  -0.02610280  0.02610280  0.15661682       0.003
  -0.03915421  0.03915421  0.16966822       0.003
  -0.05220561  0.05220561  0.18271963       0.003
   0.18271963 -0.18271963 -0.05220561       0.003
   0.16966822 -0.16966822 -0.03915421       0.003
   0.15661682 -0.15661682 -0.02610280       0.003
   0.14356542 -0.14356542 -0.01305140       0.003
   0.13051402 -0.13051402  0.00000000       0.002
   0.00000000  0.00000000  0.15661682       0.001
  -0.01305140  0.01305140  0.16966822       0.003
  -0.02610280  0.02610280  0.18271963       0.003
  -0.03915421  0.03915421  0.19577103       0.003
   0.19577103 -0.19577103 -0.03915421       0.003
   0.18271963 -0.18271963 -0.02610280       0.003
   0.16966822 -0.16966822 -0.01305140       0.003
   0.15661682 -0.15661682  0.00000000       0.002
   0.00000000  0.00000000  0.18271963       0.001
  -0.01305140  0.01305140  0.19577103       0.003
  -0.02610280  0.02610280  0.20882243       0.003
   0.20882243 -0.20882243 -0.02610280       0.003
   0.19577103 -0.19577103 -0.01305140       0.003
   0.18271963 -0.18271963  0.00000000       0.002
   0.00000000  0.00000000  0.20882243       0.001
  -0.01305140  0.01305140  0.22187383       0.003
   0.22187383 -0.22187383 -0.01305140       0.003
   0.20882243 -0.20882243  0.00000000       0.002
   0.00000000  0.00000000  0.23492523       0.001
   0.23492523 -0.23492523  0.00000000       0.002
   0.00000000  0.02610280  0.05220561       0.003
  -0.01305140  0.03915421  0.06525701       0.007
  -0.02610280  0.05220561  0.07830841       0.007
  -0.03915421  0.06525701  0.09135981       0.007
  -0.05220561  0.07830841  0.10441121       0.007
  -0.06525701  0.09135981  0.11746262       0.007
  -0.07830841  0.10441121  0.13051402       0.007
   0.15661682 -0.13051402 -0.10441121       0.007
   0.00000000  0.02610280  0.07830841       0.003
  -0.01305140  0.03915421  0.09135981       0.007
  -0.02610280  0.05220561  0.10441121       0.007
  -0.03915421  0.06525701  0.11746262       0.007
  -0.05220561  0.07830841  0.13051402       0.007
  -0.06525701  0.09135981  0.14356542       0.007
   0.16966822 -0.14356542 -0.09135981       0.007
   0.15661682 -0.13051402 -0.07830841       0.007
   0.14356542 -0.11746262 -0.06525701       0.007
   0.13051402 -0.10441121 -0.05220561       0.007
   0.11746262 -0.09135981 -0.03915421       0.007
   0.10441121 -0.07830841 -0.02610280       0.007
   0.09135981 -0.06525701 -0.01305140       0.007
   0.07830841 -0.05220561  0.00000000       0.003
   0.00000000  0.02610280  0.10441121       0.003
  -0.01305140  0.03915421  0.11746262       0.007
  -0.02610280  0.05220561  0.13051402       0.007
  -0.03915421  0.06525701  0.14356542       0.007
  -0.05220561  0.07830841  0.15661682       0.007
   0.18271963 -0.15661682 -0.07830841       0.007
   0.16966822 -0.14356542 -0.06525701       0.007
   0.15661682 -0.13051402 -0.05220561       0.007
   0.14356542 -0.11746262 -0.03915421       0.007
   0.13051402 -0.10441121 -0.02610280       0.007
   0.11746262 -0.09135981 -0.01305140       0.007
   0.10441121 -0.07830841  0.00000000       0.003
   0.00000000  0.02610280  0.13051402       0.003
  -0.01305140  0.03915421  0.14356542       0.007
  -0.02610280  0.05220561  0.15661682       0.007
  -0.03915421  0.06525701  0.16966822       0.007
   0.19577103 -0.16966822 -0.06525701       0.007
   0.18271963 -0.15661682 -0.05220561       0.007
   0.16966822 -0.14356542 -0.03915421       0.007
   0.15661682 -0.13051402 -0.02610280       0.007
   0.14356542 -0.11746262 -0.01305140       0.007
   0.13051402 -0.10441121  0.00000000       0.003
   0.00000000  0.02610280  0.15661682       0.003
  -0.01305140  0.03915421  0.16966822       0.007
  -0.02610280  0.05220561  0.18271963       0.007
   0.20882243 -0.18271963 -0.05220561       0.007
   0.19577103 -0.16966822 -0.03915421       0.007
   0.18271963 -0.15661682 -0.02610280       0.007
   0.16966822 -0.14356542 -0.01305140       0.007
   0.15661682 -0.13051402  0.00000000       0.003
   0.00000000  0.02610280  0.18271963       0.003
  -0.01305140  0.03915421  0.19577103       0.007
   0.22187383 -0.19577103 -0.03915421       0.007
   0.20882243 -0.18271963 -0.02610280       0.007
   0.19577103 -0.16966822 -0.01305140       0.007
   0.18271963 -0.15661682  0.00000000       0.003
   0.00000000  0.02610280  0.20882243       0.003
   0.23492523 -0.20882243 -0.02610280       0.007
   0.22187383 -0.19577103 -0.01305140       0.007
   0.20882243 -0.18271963  0.00000000       0.003
   0.24797663 -0.22187383 -0.01305140       0.003
   0.23492523 -0.20882243  0.00000000       0.003
   0.00000000  0.05220561  0.10441121       0.003
  -0.01305140  0.06525701  0.11746262       0.007
  -0.02610280  0.07830841  0.13051402       0.007
  -0.03915421  0.09135981  0.14356542       0.007
   0.19577103 -0.14356542 -0.09135981       0.007
   0.18271963 -0.13051402 -0.07830841       0.007
   0.00000000  0.05220561  0.13051402       0.003
  -0.01305140  0.06525701  0.14356542       0.007
  -0.02610280  0.07830841  0.15661682       0.007
   0.20882243 -0.15661682 -0.07830841       0.007
   0.19577103 -0.14356542 -0.06525701       0.007
   0.18271963 -0.13051402 -0.05220561       0.007
   0.16966822 -0.11746262 -0.03915421       0.007
   0.15661682 -0.10441121 -0.02610280       0.007
   0.14356542 -0.09135981 -0.01305140       0.007
   0.13051402 -0.07830841  0.00000000       0.003
   0.00000000  0.05220561  0.15661682       0.003
  -0.01305140  0.06525701  0.16966822       0.007
   0.22187383 -0.16966822 -0.06525701       0.007
   0.20882243 -0.15661682 -0.05220561       0.007
   0.19577103 -0.14356542 -0.03915421       0.007
   0.18271963 -0.13051402 -0.02610280       0.007
   0.16966822 -0.11746262 -0.01305140       0.007
   0.15661682 -0.10441121  0.00000000       0.003
   0.00000000  0.05220561  0.18271963       0.003
   0.23492523 -0.18271963 -0.05220561       0.007
   0.22187383 -0.16966822 -0.03915421       0.007
   0.20882243 -0.15661682 -0.02610280       0.007
   0.19577103 -0.14356542 -0.01305140       0.007
   0.18271963 -0.13051402  0.00000000       0.003
   0.24797663 -0.19577103 -0.03915421       0.003
   0.23492523 -0.18271963 -0.02610280       0.007
   0.22187383 -0.16966822 -0.01305140       0.007
   0.20882243 -0.15661682  0.00000000       0.003
   0.24797663 -0.19577103 -0.01305140       0.003
   0.23492523 -0.18271963  0.00000000       0.003
   0.00000000  0.07830841  0.15661682       0.003
   0.23492523 -0.15661682 -0.07830841       0.007
   0.22187383 -0.14356542 -0.06525701       0.007
   0.20882243 -0.13051402 -0.05220561       0.007
   0.24797663 -0.16966822 -0.06525701       0.003
   0.23492523 -0.15661682 -0.05220561       0.007
   0.22187383 -0.14356542 -0.03915421       0.007
   0.20882243 -0.13051402 -0.02610280       0.007
   0.19577103 -0.11746262 -0.01305140       0.007
   0.18271963 -0.10441121  0.00000000       0.003
   0.24797663 -0.16966822 -0.03915421       0.003
   0.23492523 -0.15661682 -0.02610280       0.007
   0.22187383 -0.14356542 -0.01305140       0.007
   0.20882243 -0.13051402  0.00000000       0.003
   0.24797663 -0.16966822 -0.01305140       0.003
   0.23492523 -0.15661682  0.00000000       0.003
   0.24797663 -0.14356542 -0.03915421       0.003
   0.23492523 -0.13051402 -0.02610280       0.007
   0.24797663 -0.14356542 -0.01305140       0.003
   0.23492523 -0.13051402  0.00000000       0.003
 
 k-points in reciprocal lattice and weights: Automatic kpoint scheme                 
   0.00000000  0.00000000  0.00000000       0.000
   0.05263158  0.00000000  0.00000000       0.001
   0.10526316  0.00000000  0.00000000       0.001
   0.15789474  0.00000000  0.00000000       0.001
   0.21052632  0.00000000  0.00000000       0.001
   0.26315789  0.00000000  0.00000000       0.001
   0.31578947  0.00000000  0.00000000       0.001
   0.36842105  0.00000000  0.00000000       0.001
   0.42105263  0.00000000  0.00000000       0.001
   0.47368421  0.00000000  0.00000000       0.001
   0.05263158  0.05263158  0.00000000       0.001
   0.10526316  0.05263158  0.00000000       0.003
   0.15789474  0.05263158  0.00000000       0.003
   0.21052632  0.05263158  0.00000000       0.003
   0.26315789  0.05263158  0.00000000       0.003
   0.31578947  0.05263158  0.00000000       0.003
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  -0.47368421  0.05263158  0.00000000       0.003
  -0.42105263  0.05263158  0.00000000       0.003
  -0.36842105  0.05263158  0.00000000       0.003
  -0.31578947  0.05263158  0.00000000       0.003
  -0.26315789  0.05263158  0.00000000       0.003
  -0.21052632  0.05263158  0.00000000       0.003
  -0.15789474  0.05263158  0.00000000       0.003
  -0.10526316  0.05263158  0.00000000       0.003
  -0.05263158  0.05263158  0.00000000       0.002
   0.10526316  0.10526316  0.00000000       0.001
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   0.21052632  0.10526316  0.00000000       0.003
   0.26315789  0.10526316  0.00000000       0.003
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  -0.47368421  0.10526316  0.00000000       0.003
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  -0.26315789  0.10526316  0.00000000       0.003
  -0.21052632  0.10526316  0.00000000       0.003
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  -0.10526316  0.10526316  0.00000000       0.002
   0.15789474  0.15789474  0.00000000       0.001
   0.21052632  0.15789474  0.00000000       0.003
   0.26315789  0.15789474  0.00000000       0.003
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  -0.47368421  0.15789474  0.00000000       0.003
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  -0.31578947  0.15789474  0.00000000       0.003
  -0.26315789  0.15789474  0.00000000       0.003
  -0.21052632  0.15789474  0.00000000       0.003
  -0.15789474  0.15789474  0.00000000       0.002
   0.21052632  0.21052632  0.00000000       0.001
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   0.36842105  0.21052632  0.00000000       0.003
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  -0.47368421  0.21052632  0.00000000       0.003
  -0.42105263  0.21052632  0.00000000       0.003
  -0.36842105  0.21052632  0.00000000       0.003
  -0.31578947  0.21052632  0.00000000       0.003
  -0.26315789  0.21052632  0.00000000       0.003
  -0.21052632  0.21052632  0.00000000       0.002
   0.26315789  0.26315789  0.00000000       0.001
   0.31578947  0.26315789  0.00000000       0.003
   0.36842105  0.26315789  0.00000000       0.003
   0.42105263  0.26315789  0.00000000       0.003
   0.47368421  0.26315789  0.00000000       0.003
  -0.47368421  0.26315789  0.00000000       0.003
  -0.42105263  0.26315789  0.00000000       0.003
  -0.36842105  0.26315789  0.00000000       0.003
  -0.31578947  0.26315789  0.00000000       0.003
  -0.26315789  0.26315789  0.00000000       0.002
   0.31578947  0.31578947  0.00000000       0.001
   0.36842105  0.31578947  0.00000000       0.003
   0.42105263  0.31578947  0.00000000       0.003
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  -0.47368421  0.31578947  0.00000000       0.003
  -0.42105263  0.31578947  0.00000000       0.003
  -0.36842105  0.31578947  0.00000000       0.003
  -0.31578947  0.31578947  0.00000000       0.002
   0.36842105  0.36842105  0.00000000       0.001
   0.42105263  0.36842105  0.00000000       0.003
   0.47368421  0.36842105  0.00000000       0.003
  -0.47368421  0.36842105  0.00000000       0.003
  -0.42105263  0.36842105  0.00000000       0.003
  -0.36842105  0.36842105  0.00000000       0.002
   0.42105263  0.42105263  0.00000000       0.001
   0.47368421  0.42105263  0.00000000       0.003
  -0.47368421  0.42105263  0.00000000       0.003
  -0.42105263  0.42105263  0.00000000       0.002
   0.47368421  0.47368421  0.00000000       0.001
  -0.47368421  0.47368421  0.00000000       0.002
   0.15789474  0.10526316  0.05263158       0.003
   0.21052632  0.10526316  0.05263158       0.007
   0.26315789  0.10526316  0.05263158       0.007
   0.31578947  0.10526316  0.05263158       0.007
   0.36842105  0.10526316  0.05263158       0.007
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  -0.47368421  0.10526316  0.05263158       0.007
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   0.26315789  0.15789474  0.05263158       0.007
   0.31578947  0.15789474  0.05263158       0.007
   0.36842105  0.15789474  0.05263158       0.007
   0.42105263  0.15789474  0.05263158       0.007
   0.47368421  0.15789474  0.05263158       0.007
  -0.47368421  0.15789474  0.05263158       0.007
  -0.42105263  0.15789474  0.05263158       0.007
  -0.36842105  0.15789474  0.05263158       0.007
  -0.31578947  0.15789474  0.05263158       0.007
  -0.26315789  0.15789474  0.05263158       0.007
  -0.21052632  0.15789474  0.05263158       0.007
  -0.15789474  0.15789474  0.05263158       0.007
  -0.10526316  0.15789474  0.05263158       0.003
   0.26315789  0.21052632  0.05263158       0.003
   0.31578947  0.21052632  0.05263158       0.007
   0.36842105  0.21052632  0.05263158       0.007
   0.42105263  0.21052632  0.05263158       0.007
   0.47368421  0.21052632  0.05263158       0.007
  -0.47368421  0.21052632  0.05263158       0.007
  -0.42105263  0.21052632  0.05263158       0.007
  -0.36842105  0.21052632  0.05263158       0.007
  -0.31578947  0.21052632  0.05263158       0.007
  -0.26315789  0.21052632  0.05263158       0.007
  -0.21052632  0.21052632  0.05263158       0.007
  -0.15789474  0.21052632  0.05263158       0.003
   0.31578947  0.26315789  0.05263158       0.003
   0.36842105  0.26315789  0.05263158       0.007
   0.42105263  0.26315789  0.05263158       0.007
   0.47368421  0.26315789  0.05263158       0.007
  -0.47368421  0.26315789  0.05263158       0.007
  -0.42105263  0.26315789  0.05263158       0.007
  -0.36842105  0.26315789  0.05263158       0.007
  -0.31578947  0.26315789  0.05263158       0.007
  -0.26315789  0.26315789  0.05263158       0.007
  -0.21052632  0.26315789  0.05263158       0.003
   0.36842105  0.31578947  0.05263158       0.003
   0.42105263  0.31578947  0.05263158       0.007
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  -0.26315789  0.31578947  0.05263158       0.003
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  -0.47368421  0.36842105  0.05263158       0.007
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  -0.36842105  0.36842105  0.05263158       0.007
  -0.31578947  0.36842105  0.05263158       0.003
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  -0.47368421  0.42105263  0.05263158       0.007
  -0.42105263  0.42105263  0.05263158       0.007
  -0.36842105  0.42105263  0.05263158       0.003
  -0.47368421  0.47368421  0.05263158       0.003
  -0.42105263  0.47368421  0.05263158       0.003
   0.31578947  0.21052632  0.10526316       0.003
   0.36842105  0.21052632  0.10526316       0.007
   0.42105263  0.21052632  0.10526316       0.007
   0.47368421  0.21052632  0.10526316       0.007
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  -0.42105263  0.21052632  0.10526316       0.007
   0.36842105  0.26315789  0.10526316       0.003
   0.42105263  0.26315789  0.10526316       0.007
   0.47368421  0.26315789  0.10526316       0.007
  -0.47368421  0.26315789  0.10526316       0.007
  -0.42105263  0.26315789  0.10526316       0.007
  -0.36842105  0.26315789  0.10526316       0.007
  -0.31578947  0.26315789  0.10526316       0.007
  -0.26315789  0.26315789  0.10526316       0.007
  -0.21052632  0.26315789  0.10526316       0.007
  -0.15789474  0.26315789  0.10526316       0.003
   0.42105263  0.31578947  0.10526316       0.003
   0.47368421  0.31578947  0.10526316       0.007
  -0.47368421  0.31578947  0.10526316       0.007
  -0.42105263  0.31578947  0.10526316       0.007
  -0.36842105  0.31578947  0.10526316       0.007
  -0.31578947  0.31578947  0.10526316       0.007
  -0.26315789  0.31578947  0.10526316       0.007
  -0.21052632  0.31578947  0.10526316       0.003
   0.47368421  0.36842105  0.10526316       0.003
  -0.47368421  0.36842105  0.10526316       0.007
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  -0.42105263  0.47368421  0.10526316       0.003
  -0.36842105  0.47368421  0.10526316       0.003
   0.47368421  0.31578947  0.15789474       0.003
  -0.47368421  0.31578947  0.15789474       0.007
  -0.42105263  0.31578947  0.15789474       0.007
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  -0.47368421  0.36842105  0.15789474       0.003
  -0.42105263  0.36842105  0.15789474       0.007
  -0.36842105  0.36842105  0.15789474       0.007
  -0.31578947  0.36842105  0.15789474       0.007
  -0.26315789  0.36842105  0.15789474       0.007
  -0.21052632  0.36842105  0.15789474       0.003
  -0.42105263  0.42105263  0.15789474       0.003
  -0.36842105  0.42105263  0.15789474       0.007
  -0.31578947  0.42105263  0.15789474       0.007
  -0.26315789  0.42105263  0.15789474       0.003
  -0.36842105  0.47368421  0.15789474       0.003
  -0.31578947  0.47368421  0.15789474       0.003
  -0.36842105  0.42105263  0.21052632       0.003
  -0.31578947  0.42105263  0.21052632       0.007
  -0.31578947  0.47368421  0.21052632       0.003
  -0.26315789  0.47368421  0.21052632       0.003
 
 position of ions in fractional coordinates (direct lattice) 
   0.00000000  0.00000000  0.00000000
 
 position of ions in cartesian coordinates  (Angst):
   0.00000000  0.00000000  0.00000000
 


--------------------------------------------------------------------------------------------------------


 k-point  1 :  0.00000.00000.0000  plane waves:     459
 k-point  2 :  0.05260.00000.0000  plane waves:     441
 k-point  3 :  0.10530.00000.0000  plane waves:     441
 k-point  4 :  0.15790.00000.0000  plane waves:     450
 k-point  5 :  0.21050.00000.0000  plane waves:     453
 k-point  6 :  0.26320.00000.0000  plane waves:     450
 k-point  7 :  0.31580.00000.0000  plane waves:     438
 k-point  8 :  0.36840.00000.0000  plane waves:     431
 k-point  9 :  0.42110.00000.0000  plane waves:     431
 k-point 10 :  0.47370.00000.0000  plane waves:     434
 k-point 11 :  0.05260.05260.0000  plane waves:     435
 k-point 12 :  0.10530.05260.0000  plane waves:     435
 k-point 13 :  0.15790.05260.0000  plane waves:     446
 k-point 14 :  0.21050.05260.0000  plane waves:     450
 k-point 15 :  0.26320.05260.0000  plane waves:     445
 k-point 16 :  0.31580.05260.0000  plane waves:     438
 k-point 17 :  0.36840.05260.0000  plane waves:     441
 k-point 18 :  0.42110.05260.0000  plane waves:     436
 k-point 19 :  0.47370.05260.0000  plane waves:     447
 k-point 20 :  -.47370.05260.0000  plane waves:     443
 k-point 21 :  -.42110.05260.0000  plane waves:     441
 k-point 22 :  -.36840.05260.0000  plane waves:     439
 k-point 23 :  -.31580.05260.0000  plane waves:     439
 k-point 24 :  -.26320.05260.0000  plane waves:     443
 k-point 25 :  -.21050.05260.0000  plane waves:     448
 k-point 26 :  -.15790.05260.0000  plane waves:     447
 k-point 27 :  -.10530.05260.0000  plane waves:     447
 k-point 28 :  -.05260.05260.0000  plane waves:     435
 k-point 29 :  0.10530.10530.0000  plane waves:     443
 k-point 30 :  0.15790.10530.0000  plane waves:     447
 k-point 31 :  0.21050.10530.0000  plane waves:     450
 k-point 32 :  0.26320.10530.0000  plane waves:     447
 k-point 33 :  0.31580.10530.0000  plane waves:     441
 k-point 34 :  0.36840.10530.0000  plane waves:     440
 k-point 35 :  0.42110.10530.0000  plane waves:     438
 k-point 36 :  0.47370.10530.0000  plane waves:     441
 k-point 37 :  -.47370.10530.0000  plane waves:     445
 k-point 38 :  -.42110.10530.0000  plane waves:     443
 k-point 39 :  -.36840.10530.0000  plane waves:     439
 k-point 40 :  -.31580.10530.0000  plane waves:     442
 k-point 41 :  -.26320.10530.0000  plane waves:     445
 k-point 42 :  -.21050.10530.0000  plane waves:     449
 k-point 43 :  -.15790.10530.0000  plane waves:     447
 k-point 44 :  -.10530.10530.0000  plane waves:     447
 k-point 45 :  0.15790.15790.0000  plane waves:     451
 k-point 46 :  0.21050.15790.0000  plane waves:     447
 k-point 47 :  0.26320.15790.0000  plane waves:     440
 k-point 48 :  0.31580.15790.0000  plane waves:     442
 k-point 49 :  0.36840.15790.0000  plane waves:     444
 k-point 50 :  0.42110.15790.0000  plane waves:     444
 k-point 51 :  0.47370.15790.0000  plane waves:     440
 k-point 52 :  -.47370.15790.0000  plane waves:     440
 k-point 53 :  -.42110.15790.0000  plane waves:     445
 k-point 54 :  -.36840.15790.0000  plane waves:     443
 k-point 55 :  -.31580.15790.0000  plane waves:     438
 k-point 56 :  -.26320.15790.0000  plane waves:     443
 k-point 57 :  -.21050.15790.0000  plane waves:     441
 k-point 58 :  -.15790.15790.0000  plane waves:     445
 k-point 59 :  0.21050.21050.0000  plane waves:     443
 k-point 60 :  0.26320.21050.0000  plane waves:     442
 k-point 61 :  0.31580.21050.0000  plane waves:     445
 k-point 62 :  0.36840.21050.0000  plane waves:     447
 k-point 63 :  0.42110.21050.0000  plane waves:     442
 k-point 64 :  0.47370.21050.0000  plane waves:     443
 k-point 65 :  -.47370.21050.0000  plane waves:     442
 k-point 66 :  -.42110.21050.0000  plane waves:     443
 k-point 67 :  -.36840.21050.0000  plane waves:     440
 k-point 68 :  -.31580.21050.0000  plane waves:     438
 k-point 69 :  -.26320.21050.0000  plane waves:     436
 k-point 70 :  -.21050.21050.0000  plane waves:     441
 k-point 71 :  0.26320.26320.0000  plane waves:     444
 k-point 72 :  0.31580.26320.0000  plane waves:     439
 k-point 73 :  0.36840.26320.0000  plane waves:     443
 k-point 74 :  0.42110.26320.0000  plane waves:     443
 k-point 75 :  0.47370.26320.0000  plane waves:     440
 k-point 76 :  -.47370.26320.0000  plane waves:     442
 k-point 77 :  -.42110.26320.0000  plane waves:     443
 k-point 78 :  -.36840.26320.0000  plane waves:     443
 k-point 79 :  -.31580.26320.0000  plane waves:     437
 k-point 80 :  -.26320.26320.0000  plane waves:     437
 k-point 81 :  0.31580.31580.0000  plane waves:     444
 k-point 82 :  0.36840.31580.0000  plane waves:     443
 k-point 83 :  0.42110.31580.0000  plane waves:     442
 k-point 84 :  0.47370.31580.0000  plane waves:     440
 k-point 85 :  -.47370.31580.0000  plane waves:     442
 k-point 86 :  -.42110.31580.0000  plane waves:     442
 k-point 87 :  -.36840.31580.0000  plane waves:     443
 k-point 88 :  -.31580.31580.0000  plane waves:     443
 k-point 89 :  0.36840.36840.0000  plane waves:     444
 k-point 90 :  0.42110.36840.0000  plane waves:     449
 k-point 91 :  0.47370.36840.0000  plane waves:     449
 k-point 92 :  -.47370.36840.0000  plane waves:     444
 k-point 93 :  -.42110.36840.0000  plane waves:     435
 k-point 94 :  -.36840.36840.0000  plane waves:     440
 k-point 95 :  0.42110.42110.0000  plane waves:     452
 k-point 96 :  0.47370.42110.0000  plane waves:     451
 k-point 97 :  -.47370.42110.0000  plane waves:     448
 k-point 98 :  -.42110.42110.0000  plane waves:     444
 k-point 99 :  0.47370.47370.0000  plane waves:     444
 k-point ** :  -.47370.47370.0000  plane waves:     446
 k-point ** :  0.15790.10530.0526  plane waves:     443
 k-point ** :  0.21050.10530.0526  plane waves:     449
 k-point ** :  0.26320.10530.0526  plane waves:     454
 k-point ** :  0.31580.10530.0526  plane waves:     447
 k-point ** :  0.36840.10530.0526  plane waves:     444
 k-point ** :  0.42110.10530.0526  plane waves:     440
 k-point ** :  0.47370.10530.0526  plane waves:     441
 k-point ** :  -.47370.10530.0526  plane waves:     440
 k-point ** :  0.21050.15790.0526  plane waves:     452
 k-point ** :  0.26320.15790.0526  plane waves:     448
 k-point ** :  0.31580.15790.0526  plane waves:     444
 k-point ** :  0.36840.15790.0526  plane waves:     439
 k-point ** :  0.42110.15790.0526  plane waves:     441
 k-point ** :  0.47370.15790.0526  plane waves:     438
 k-point ** :  -.47370.15790.0526  plane waves:     440
 k-point ** :  -.42110.15790.0526  plane waves:     442
 k-point ** :  -.36840.15790.0526  plane waves:     443
 k-point ** :  -.31580.15790.0526  plane waves:     437
 k-point ** :  -.26320.15790.0526  plane waves:     440
 k-point ** :  -.21050.15790.0526  plane waves:     441
 k-point ** :  -.15790.15790.0526  plane waves:     451
 k-point ** :  -.10530.15790.0526  plane waves:     451
 k-point ** :  0.26320.21050.0526  plane waves:     444
 k-point ** :  0.31580.21050.0526  plane waves:     443
 k-point ** :  0.36840.21050.0526  plane waves:     445
 k-point ** :  0.42110.21050.0526  plane waves:     441
 k-point ** :  0.47370.21050.0526  plane waves:     440
 k-point ** :  -.47370.21050.0526  plane waves:     438
 k-point ** :  -.42110.21050.0526  plane waves:     439
 k-point ** :  -.36840.21050.0526  plane waves:     439
 k-point ** :  -.31580.21050.0526  plane waves:     439
 k-point ** :  -.26320.21050.0526  plane waves:     437
 k-point ** :  -.21050.21050.0526  plane waves:     439
 k-point ** :  -.15790.21050.0526  plane waves:     445
 k-point ** :  0.31580.26320.0526  plane waves:     441
 k-point ** :  0.36840.26320.0526  plane waves:     441
 k-point ** :  0.42110.26320.0526  plane waves:     444
 k-point ** :  0.47370.26320.0526  plane waves:     439
 k-point ** :  -.47370.26320.0526  plane waves:     440
 k-point ** :  -.42110.26320.0526  plane waves:     441
 k-point ** :  -.36840.26320.0526  plane waves:     440
 k-point ** :  -.31580.26320.0526  plane waves:     436
 k-point ** :  -.26320.26320.0526  plane waves:     434
 k-point ** :  -.21050.26320.0526  plane waves:     438
 k-point ** :  0.36840.31580.0526  plane waves:     441
 k-point ** :  0.42110.31580.0526  plane waves:     441
 k-point ** :  0.47370.31580.0526  plane waves:     440
 k-point ** :  -.47370.31580.0526  plane waves:     442
 k-point ** :  -.42110.31580.0526  plane waves:     440
 k-point ** :  -.36840.31580.0526  plane waves:     444
 k-point ** :  -.31580.31580.0526  plane waves:     442
 k-point ** :  -.26320.31580.0526  plane waves:     436
 k-point ** :  0.42110.36840.0526  plane waves:     442
 k-point ** :  0.47370.36840.0526  plane waves:     446
 k-point ** :  -.47370.36840.0526  plane waves:     444
 k-point ** :  -.42110.36840.0526  plane waves:     441
 k-point ** :  -.36840.36840.0526  plane waves:     440
 k-point ** :  -.31580.36840.0526  plane waves:     440
 k-point ** :  0.47370.42110.0526  plane waves:     448
 k-point ** :  -.47370.42110.0526  plane waves:     447
 k-point ** :  -.42110.42110.0526  plane waves:     443
 k-point ** :  -.36840.42110.0526  plane waves:     437
 k-point ** :  -.47370.47370.0526  plane waves:     448
 k-point ** :  -.42110.47370.0526  plane waves:     450
 k-point ** :  0.31580.21050.1053  plane waves:     441
 k-point ** :  0.36840.21050.1053  plane waves:     444
 k-point ** :  0.42110.21050.1053  plane waves:     440
 k-point ** :  0.47370.21050.1053  plane waves:     438
 k-point ** :  -.47370.21050.1053  plane waves:     438
 k-point ** :  -.42110.21050.1053  plane waves:     440
 k-point ** :  0.36840.26320.1053  plane waves:     445
 k-point ** :  0.42110.26320.1053  plane waves:     444
 k-point ** :  0.47370.26320.1053  plane waves:     440
 k-point ** :  -.47370.26320.1053  plane waves:     442
 k-point ** :  -.42110.26320.1053  plane waves:     441
 k-point ** :  -.36840.26320.1053  plane waves:     436
 k-point ** :  -.31580.26320.1053  plane waves:     435
 k-point ** :  -.26320.26320.1053  plane waves:     437
 k-point ** :  -.21050.26320.1053  plane waves:     437
 k-point ** :  -.15790.26320.1053  plane waves:     444
 k-point ** :  0.42110.31580.1053  plane waves:     443
 k-point ** :  0.47370.31580.1053  plane waves:     441
 k-point ** :  -.47370.31580.1053  plane waves:     441
 k-point ** :  -.42110.31580.1053  plane waves:     438
 k-point ** :  -.36840.31580.1053  plane waves:     438
 k-point ** :  -.31580.31580.1053  plane waves:     436
 k-point ** :  -.26320.31580.1053  plane waves:     433
 k-point ** :  -.21050.31580.1053  plane waves:     437
 k-point ** :  0.47370.36840.1053  plane waves:     446
 k-point ** :  -.47370.36840.1053  plane waves:     438
 k-point ** :  -.42110.36840.1053  plane waves:     439
 k-point ** :  -.36840.36840.1053  plane waves:     441
 k-point ** :  -.31580.36840.1053  plane waves:     441
 k-point ** :  -.26320.36840.1053  plane waves:     438
 k-point ** :  -.47370.42110.1053  plane waves:     444
 k-point ** :  -.42110.42110.1053  plane waves:     441
 k-point ** :  -.36840.42110.1053  plane waves:     442
 k-point ** :  -.31580.42110.1053  plane waves:     439
 k-point ** :  -.42110.47370.1053  plane waves:     446
 k-point ** :  -.36840.47370.1053  plane waves:     445
 k-point ** :  0.47370.31580.1579  plane waves:     435
 k-point ** :  -.47370.31580.1579  plane waves:     442
 k-point ** :  -.42110.31580.1579  plane waves:     439
 k-point ** :  -.36840.31580.1579  plane waves:     436
 k-point ** :  -.47370.36840.1579  plane waves:     438
 k-point ** :  -.42110.36840.1579  plane waves:     441
 k-point ** :  -.36840.36840.1579  plane waves:     438
 k-point ** :  -.31580.36840.1579  plane waves:     440
 k-point ** :  -.26320.36840.1579  plane waves:     439
 k-point ** :  -.21050.36840.1579  plane waves:     440
 k-point ** :  -.42110.42110.1579  plane waves:     440
 k-point ** :  -.36840.42110.1579  plane waves:     439
 k-point ** :  -.31580.42110.1579  plane waves:     439
 k-point ** :  -.26320.42110.1579  plane waves:     442
 k-point ** :  -.36840.47370.1579  plane waves:     440
 k-point ** :  -.31580.47370.1579  plane waves:     439
 k-point ** :  -.36840.42110.2105  plane waves:     442
 k-point ** :  -.31580.42110.2105  plane waves:     442
 k-point ** :  -.31580.47370.2105  plane waves:     441
 k-point ** :  -.26320.47370.2105  plane waves:     444

 maximum and minimum number of plane-waves per node :      35     21

 maximum number of plane-waves:     459
 maximal index in each direction: 
   IXMAX=  5   IYMAX=  5   IZMAX=  5
   IXMIN= -5   IYMIN= -5   IZMIN= -5

 NGX is ok and might be reduce to  22
 NGY is ok and might be reduce to  22
 NGZ is ok and might be reduce to  22

 parallel 3D FFT for wavefunctions:
    minimum data exchange during FFTs selected (reduces bandwidth)
 parallel 3D FFT for charge:
    minimum data exchange during FFTs selected (reduces bandwidth)


 total amount of memory used by VASP on root node  33617. kBytes
========================================================================

   base      :    30000. kBytes
   nonl-proj :      451. kBytes
   fftplans  :      185. kBytes
   grid      :     2131. kBytes
   one-center:        6. kBytes
   wavefun   :      844. kBytes
 
 Broyden mixing: mesh for mixing (old mesh)
   NGX = 11   NGY = 11   NGZ = 11
  (NGX  = 48   NGY  = 48   NGZ  = 48)
  gives a total of   1331 points

 initial charge density was supplied:
 charge density of overlapping atoms calculated
 number of electron    3.0000000 magnetization    0.6000000
 keeping initial charge density in first step


--------------------------------------------------------------------------------------------------------


 Maximum index for augmentation-charges          1603 (set IRDMAX)


--------------------------------------------------------------------------------------------------------


 First call to EWALD:  gamma=   0.698
 Maximum number of real-space cells 3x 3x 3
 Maximum number of reciprocal cells 3x 3x 3

    FEWALD:  cpu time    0.00: real time    0.00
   RESPFUN:  cpu time    0.00: real time    0.00


----------------------------------------- Iteration    1(   1)  ---------------------------------------


    POTLOK:  cpu time    0.19: real time    0.22
    SETDIJ:  cpu time    0.01: real time    0.02
     EDDAV:  cpu time    3.31: real time    3.39
 BZINTS: Fermi energy:  9.578122;  3.000000 electrons
         Band energy:  12.818451;  BLOECHL correction: -0.111649
       DOS:  cpu time    0.03: real time    0.03
    --------------------------------------------
      LOOP:  cpu time    3.54: real time    3.66

 eigenvalue-minimisations  :  5364
 total energy-change (2. order) :-0.1839857E+01  (-0.8490176E+02)
 number of electron    3.0000000 magnetization    0.6000000
 augmentation part     3.0000000 magnetization    0.6000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.09905503
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.17475841
  PAW double counting   =        35.53514605       -3.58069100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        12.81845108
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -1.83985680 eV

  energy without entropy =       -1.83985680  energy(sigma->0) =       -1.83985680


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   2)  ---------------------------------------


     EDDAV:  cpu time    3.90: real time    3.90
 BZINTS: Fermi energy:  8.133411;  3.000000 electrons
         Band energy:  10.991366;  BLOECHL correction: -0.045115
       DOS:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time    3.92: real time    3.92

 eigenvalue-minimisations  :  6840
 total energy-change (2. order) :-0.1827085E+01  (-0.1781267E+01)
 number of electron    3.0000000 magnetization    0.6000000
 augmentation part     3.0000000 magnetization    0.6000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.09905503
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.17475841
  PAW double counting   =        35.53514605       -3.58069100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.99136572
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.66694216 eV

  energy without entropy =       -3.66694216  energy(sigma->0) =       -3.66694216


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   3)  ---------------------------------------


     EDDAV:  cpu time    4.01: real time    4.01
 BZINTS: Fermi energy:  8.120605;  3.000000 electrons
         Band energy:  10.976373;  BLOECHL correction: -0.044931
       DOS:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time    4.03: real time    4.04

 eigenvalue-minimisations  :  7050
 total energy-change (2. order) :-0.1499319E-01  (-0.1501025E-01)
 number of electron    3.0000000 magnetization    0.6000000
 augmentation part     3.0000000 magnetization    0.6000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.09905503
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.17475841
  PAW double counting   =        35.53514605       -3.58069100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.97637253
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.68193534 eV

  energy without entropy =       -3.68193534  energy(sigma->0) =       -3.68193534


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   4)  ---------------------------------------


     EDDAV:  cpu time    4.04: real time    4.04
 BZINTS: Fermi energy:  8.120565;  3.000000 electrons
         Band energy:  10.976334;  BLOECHL correction: -0.044930
       DOS:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time    4.06: real time    4.07

 eigenvalue-minimisations  :  7044
 total energy-change (2. order) :-0.3812864E-04  (-0.3835956E-04)
 number of electron    3.0000000 magnetization    0.6000000
 augmentation part     3.0000000 magnetization    0.6000000

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.09905503
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.17475841
  PAW double counting   =        35.53514605       -3.58069100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.97633440
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.68197347 eV

  energy without entropy =       -3.68197347  energy(sigma->0) =       -3.68197347


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   5)  ---------------------------------------


     EDDAV:  cpu time    4.08: real time    4.08
 BZINTS: Fermi energy:  8.120565;  3.000000 electrons
         Band energy:  10.976334;  BLOECHL correction: -0.044930
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.11: real time    0.11
    MIXING:  cpu time    0.00: real time    0.01
    --------------------------------------------
      LOOP:  cpu time    4.21: real time    4.22

 eigenvalue-minimisations  :  7146
 total energy-change (2. order) :-0.1967941E-06  (-0.1963461E-06)
 number of electron    3.0000000 magnetization   -0.0426071
 augmentation part    -0.0369119 magnetization   -0.1858986

 Broyden mixing:
  rms(total) = 0.14891E+00    rms(broyden)= 0.14891E+00
  rms(prec ) = 0.37033E+00
  weight for this iteration     100.00

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.09905503
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.17475841
  PAW double counting   =        35.53514605       -3.58069100
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.97633421
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.68197367 eV

  energy without entropy =       -3.68197367  energy(sigma->0) =       -3.68197367


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   6)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    3.51: real time    3.51
 BZINTS: Fermi energy:  8.109014;  3.000000 electrons
         Band energy:  10.911058;  BLOECHL correction: -0.041621
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    3.67: real time    3.67

 eigenvalue-minimisations  :  5952
 total energy-change (2. order) :-0.7030407E-01  (-0.5750471E-03)
 number of electron    3.0000000 magnetization    0.0494010
 augmentation part    -0.0370819 magnetization    0.0567525

 Broyden mixing:
  rms(total) = 0.61067E-01    rms(broyden)= 0.61067E-01
  rms(prec ) = 0.22482E+00
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   0.9444
  0.9444

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.08405912
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.19176888
  PAW double counting   =        35.59867548       -3.64723334
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.91105761
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.75227774 eV

  energy without entropy =       -3.75227774  energy(sigma->0) =       -3.75227774


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   7)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    3.61: real time    3.61
 BZINTS: Fermi energy:  8.097372;  3.000000 electrons
         Band energy:  10.882812;  BLOECHL correction: -0.041776
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    3.76: real time    3.76

 eigenvalue-minimisations  :  5964
 total energy-change (2. order) : 0.8846572E-02  (-0.7642311E-03)
 number of electron    3.0000000 magnetization   -0.0048252
 augmentation part    -0.0378173 magnetization   -0.0127380

 Broyden mixing:
  rms(total) = 0.26746E-01    rms(broyden)= 0.26746E-01
  rms(prec ) = 0.71804E-01
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3346
  0.8791  1.7900

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.09204508
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.14171949
  PAW double counting   =        35.63226269       -3.68579144
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.88281164
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.74343117 eV

  energy without entropy =       -3.74343117  energy(sigma->0) =       -3.74343117


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   8)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    3.41: real time    3.41
 BZINTS: Fermi energy:  8.093775;  3.000000 electrons
         Band energy:  10.874623;  BLOECHL correction: -0.041847
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    3.56: real time    3.56

 eigenvalue-minimisations  :  5700
 total energy-change (2. order) :-0.3575765E-04  (-0.2563445E-03)
 number of electron    3.0000000 magnetization   -0.0002771
 augmentation part    -0.0381739 magnetization   -0.0009017

 Broyden mixing:
  rms(total) = 0.88922E-02    rms(broyden)= 0.88922E-02
  rms(prec ) = 0.95960E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4006
  2.5744  0.9389  0.6885

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.10476980
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.11802900
  PAW double counting   =        35.65312182       -3.70946333
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.87462287
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.74346693 eV

  energy without entropy =       -3.74346693  energy(sigma->0) =       -3.74346693


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(   9)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    3.81: real time    3.80
 BZINTS: Fermi energy:  8.093928;  3.000000 electrons
         Band energy:  10.875150;  BLOECHL correction: -0.041849
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    3.96: real time    3.96

 eigenvalue-minimisations  :  6606
 total energy-change (2. order) : 0.1090099E-03  (-0.6682625E-05)
 number of electron    3.0000000 magnetization    0.0001953
 augmentation part    -0.0381911 magnetization    0.0004059

 Broyden mixing:
  rms(total) = 0.16276E-02    rms(broyden)= 0.16276E-02
  rms(prec ) = 0.30007E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.2690
  2.6225  0.9707  0.8497  0.6331

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.10535854
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.11741776
  PAW double counting   =        35.65916718       -3.71594965
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.87515034
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.74335792 eV

  energy without entropy =       -3.74335792  energy(sigma->0) =       -3.74335792


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  10)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    4.05: real time    4.05
 BZINTS: Fermi energy:  8.094086;  3.000000 electrons
         Band energy:  10.875646;  BLOECHL correction: -0.041850
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.10: real time    0.10
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    4.21: real time    4.20

 eigenvalue-minimisations  :  7116
 total energy-change (2. order) : 0.1876910E-05  (-0.8060209E-06)
 number of electron    3.0000000 magnetization   -0.0000056
 augmentation part    -0.0381999 magnetization   -0.0000720

 Broyden mixing:
  rms(total) = 0.73926E-03    rms(broyden)= 0.73926E-03
  rms(prec ) = 0.15734E-02
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.3757
  2.6231  1.8389  0.9607  0.8275  0.6284

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.10582417
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.11693323
  PAW double counting   =        35.66596946       -3.72326493
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.87564632
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.74335604 eV

  energy without entropy =       -3.74335604  energy(sigma->0) =       -3.74335604


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  11)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    3.41: real time    3.41
 BZINTS: Fermi energy:  8.094246;  3.000000 electrons
         Band energy:  10.876169;  BLOECHL correction: -0.041851
       DOS:  cpu time    0.02: real time    0.02
    CHARGE:  cpu time    0.11: real time    0.11
    MIXING:  cpu time    0.00: real time    0.00
    --------------------------------------------
      LOOP:  cpu time    3.57: real time    3.57

 eigenvalue-minimisations  :  5718
 total energy-change (2. order) :-0.2318165E-05  (-0.2318034E-06)
 number of electron    3.0000000 magnetization    0.0000082
 augmentation part    -0.0382086 magnetization   -0.0000018

 Broyden mixing:
  rms(total) = 0.12175E-03    rms(broyden)= 0.12175E-03
  rms(prec ) = 0.14755E-03
  weight for this iteration     100.00

 eigenvalues of (default mixing * dielectric matrix)
  average eigenvalue GAMMA=   1.4001
  2.6387  2.5571  0.9682  0.8619  0.7479  0.6265

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.10642957
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.11626805
  PAW double counting   =        35.67330599       -3.73118626
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.87616902
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.74335836 eV

  energy without entropy =       -3.74335836  energy(sigma->0) =       -3.74335836


--------------------------------------------------------------------------------------------------------




----------------------------------------- Iteration    1(  12)  ---------------------------------------


    POTLOK:  cpu time    0.02: real time    0.02
    SETDIJ:  cpu time    0.01: real time    0.01
     EDDAV:  cpu time    2.29: real time    2.29
 BZINTS: Fermi energy:  8.094245;  3.000000 electrons
         Band energy:  10.876169;  BLOECHL correction: -0.041851
       DOS:  cpu time    0.02: real time    0.02
    --------------------------------------------
      LOOP:  cpu time    2.34: real time    2.34

 eigenvalue-minimisations  :  3078
 total energy-change (2. order) :-0.3140946E-06  (-0.3960422E-07)
 number of electron    3.0000000 magnetization    0.0000082
 augmentation part    -0.0382086 magnetization   -0.0000018

 Free energy of the ion-electron system (eV)
  ---------------------------------------------------
  alpha Z        PSCENC =        -0.20486981
  Ewald energy   TEWEN  =       -73.67253674
  -1/2 Hartree   DENC   =        -0.10646068
  -exchange  EXHF       =         0.00000000
  -V(xc)+E(xc)   XCENC  =       -26.11623001
  PAW double counting   =        35.67323357       -3.73112122
  entropy T*S    EENTRO =         0.00000000
  eigenvalues    EBANDS =        10.87616915
  atomic energy  EATOM  =        53.53845706
  ---------------------------------------------------
  free energy    TOTEN  =        -3.74335867 eV

  energy without entropy =       -3.74335867  energy(sigma->0) =       -3.74335867


--------------------------------------------------------------------------------------------------------




 average (electrostatic) potential at core
  the test charge radii are     1.0406
  (the norm of the test charge is              1.0000)
       1 -72.5590
 
 
 
 E-fermi :   8.0942     XC(G=0): -10.2200     alpha+bet :-14.9718
   add alpha+bet to get absolut eigen values

 spin component 1

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1118      1.00000
      2      20.7214      0.00000
      3      20.7214      0.00000
      4      20.7214      0.00000
      5      22.2613      0.00000
      6      22.2613      0.00000

 k-point   2 :       0.0526    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.0362      1.00000
      2      19.3192      0.00000
      3      20.4408      0.00000
      4      20.4408      0.00000
      5      22.6602      0.00000
      6      22.6602      0.00000

 k-point   3 :       0.1053    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8095      1.00000
      2      17.2163      0.00000
      3      19.9594      0.00000
      4      19.9594      0.00000
      5      22.8939      0.00000
      6      23.4741      0.00000

 k-point   4 :       0.1579    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4326      1.00000
      2      15.0838      0.00000
      3      19.5256      0.00000
      4      19.5256      0.00000
      5      22.7469      0.00000
      6      24.1771      0.00000

 k-point   5 :       0.2105    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.9065      1.00000
      2      13.0128      0.00000
      3      19.1937      0.00000
      4      19.1937      0.00000
      5      22.5768      0.00000
      6      23.6003      0.00000

 k-point   6 :       0.2632    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.2331      1.00000
      2      11.0340      0.00000
      3      18.9786      0.00000
      4      18.9786      0.00000
      5      22.4609      0.00000
      6      22.6497      0.00000

 k-point   7 :       0.3158    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.4142      1.00000
      2       9.1627     -0.06441
      3      18.8857      0.00000
      4      18.8857      0.00000
      5      21.7585      0.00000
      6      21.7585      0.00000

 k-point   8 :       0.3684    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.5475      1.00000
      2       7.4080      0.96988
      3      18.9177      0.00000
      4      18.9177      0.00000
      5      20.9749      0.00000
      6      20.9749      0.00000

 k-point   9 :       0.4211    0.0000    0.0000
  band No.  band energies     occupation 
      1       1.6490      1.00000
      2       5.7764      1.00000
      3      19.0758      0.00000
      4      19.0758      0.00000
      5      20.3114      0.00000
      6      20.3114      0.00000

 k-point  10 :       0.4737    0.0000    0.0000
  band No.  band energies     occupation 
      1       2.8831      1.00000
      2       4.2769      1.00000
      3      19.3606      0.00000
      4      19.3606      0.00000
      5      19.7728      0.00000
      6      19.7728      0.00000

 k-point  11 :       0.0526    0.0526    0.0000
  band No.  band energies     occupation 
      1      -3.0110      1.00000
      2      19.7769      0.00000
      3      19.7769      0.00000
      4      20.0217      0.00000
      5      22.0175      0.00000
      6      23.3543      0.00000

 k-point  12 :       0.1053    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.8347      1.00000
      2      17.9371      0.00000
      3      19.1664      0.00000
      4      20.0798      0.00000
      5      22.1588      0.00000
      6      23.7455      0.00000

 k-point  13 :       0.1579    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.5079      1.00000
      2      15.8269      0.00000
      3      18.6600      0.00000
      4      19.8509      0.00000
      5      22.8094      0.00000
      6      23.6922      0.00000

 k-point  14 :       0.2105    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.0316      1.00000
      2      13.7427      0.00000
      3      18.2716      0.00000
      4      19.5571      0.00000
      5      22.4897      0.00000
      6      23.4984      0.00000

 k-point  15 :       0.2632    0.0526    0.0000
  band No.  band energies     occupation 
      1      -1.4074      1.00000
      2      11.7372      0.00000
      3      18.0064      0.00000
      4      19.3308      0.00000
      5      21.4806      0.00000
      6      23.3620      0.00000

 k-point  16 :       0.3158    0.0526    0.0000
  band No.  band energies     occupation 
      1      -0.6371      1.00000
      2       9.8324     -0.00055
      3      17.8664      0.00000
      4      19.2104      0.00000
      5      20.5290      0.00000
      6      23.1781      0.00000

 k-point  17 :       0.3684    0.0526    0.0000
  band No.  band energies     occupation 
      1       0.2769      1.00000
      2       8.0402      0.52344
      3      17.8531      0.00000
      4      19.2072      0.00000
      5      19.6913      0.00000
      6      22.3695      0.00000

 k-point  18 :       0.4211    0.0526    0.0000
  band No.  band energies     occupation 
      1       1.3317      1.00000
      2       6.3684      1.00000
      3      17.9670      0.00000
      4      18.9590      0.00000
      5      19.3471      0.00000
      6      21.6725      0.00000

 k-point  19 :       0.4737    0.0526    0.0000
  band No.  band energies     occupation 
      1       2.5226      1.00000
      2       4.8241      1.00000
      3      18.2088      0.00000
      4      18.3724      0.00000
      5      19.5967      0.00000
      6      21.0959      0.00000

 k-point  20 :      -0.4737    0.0526    0.0000
  band No.  band energies     occupation 
      1       3.3722      1.00000
      2       3.8862      1.00000
      3      17.9106      0.00000
      4      18.5787      0.00000
      5      19.9792      0.00000
      6      20.6435      0.00000

 k-point  21 :      -0.4211    0.0526    0.0000
  band No.  band energies     occupation 
      1       2.1111      1.00000
      2       5.3239      1.00000
      3      17.5784      0.00000
      4      19.0761      0.00000
      5      20.3173      0.00000
      6      20.4896      0.00000

 k-point  22 :      -0.3684    0.0526    0.0000
  band No.  band energies     occupation 
      1       0.9647      1.00000
      2       6.9116      1.06330
      3      17.3765      0.00000
      4      19.6958      0.00000
      5      20.1217      0.00000
      6      21.1246      0.00000

 k-point  23 :      -0.3158    0.0526    0.0000
  band No.  band energies     occupation 
      1      -0.0436      1.00000
      2       8.6239      0.09710
      3      17.3048      0.00000
      4      20.0243      0.00000
      5      20.4670      0.00000
      6      21.8769      0.00000

 k-point  24 :      -0.2632    0.0526    0.0000
  band No.  band energies     occupation 
      1      -0.9099      1.00000
      2      10.4538      0.00000
      3      17.3630      0.00000
      4      20.0751      0.00000
      5      21.3307      0.00000
      6      22.7076      0.00000

 k-point  25 :      -0.2105    0.0526    0.0000
  band No.  band energies     occupation 
      1      -1.6318      1.00000
      2      12.3919      0.00000
      3      17.5506      0.00000
      4      20.2381      0.00000
      5      22.2949      0.00000
      6      23.0515      0.00000

 k-point  26 :      -0.1579    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.2069      1.00000
      2      14.4216      0.00000
      3      17.8675      0.00000
      4      20.5031      0.00000
      5      23.1834      0.00000
      6      23.1899      0.00000

 k-point  27 :      -0.1053    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.6335      1.00000
      2      16.5028      0.00000
      3      18.3206      0.00000
      4      20.8164      0.00000
      5      22.8892      0.00000
      6      23.2903      0.00000

 k-point  28 :      -0.0526    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.9102      1.00000
      2      18.4101      0.00000
      3      19.0462      0.00000
      4      20.9176      0.00000
      5      22.3888      0.00000
      6      23.1628      0.00000

 k-point  29 :       0.1053    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.7089      1.00000
      2      18.4817      0.00000
      3      18.4817      0.00000
      4      18.7367      0.00000
      5      21.3935      0.00000
      6      23.7805      0.00000

 k-point  30 :       0.1579    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.4325      1.00000
      2      16.6239      0.00000
      3      17.9175      0.00000
      4      18.9626      0.00000
      5      21.4076      0.00000
      6      22.4674      0.00000

 k-point  31 :       0.2105    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.0066      1.00000
      2      14.5696      0.00000
      3      17.4779      0.00000
      4      18.9070      0.00000
      5      21.1258      0.00000
      6      22.2390      0.00000

 k-point  32 :       0.2632    0.1053    0.0000
  band No.  band energies     occupation 
      1      -1.4323      1.00000
      2      12.5565      0.00000
      3      17.1647      0.00000
      4      18.7277      0.00000
      5      20.0097      0.00000
      6      23.3234      0.00000

 k-point  33 :       0.3158    0.1053    0.0000
  band No.  band energies     occupation 
      1      -0.7115      1.00000
      2      10.6284      0.00000
      3      16.9787      0.00000
      4      18.5719      0.00000
      5      19.0123      0.00000
      6      24.5063      0.00000

 k-point  34 :       0.3684    0.1053    0.0000
  band No.  band energies     occupation 
      1       0.1536      1.00000
      2       8.8050      0.00249
      3      16.9205      0.00000
      4      18.0355      0.00000
      5      18.6187      0.00000
      6      23.8805      0.00000

 k-point  35 :       0.4211    0.1053    0.0000
  band No.  band energies     occupation 
      1       1.1602      1.00000
      2       7.0973      1.06837
      3      16.9903      0.00000
      4      17.2760      0.00000
      5      18.6970      0.00000
      6      23.1564      0.00000

 k-point  36 :       0.4737    0.1053    0.0000
  band No.  band energies     occupation 
      1       2.3046      1.00000
      2       5.5132      1.00000
      3      16.6331      0.00000
      4      17.1886      0.00000
      5      18.9183      0.00000
      6      22.5457      0.00000

 k-point  37 :      -0.4737    0.1053    0.0000
  band No.  band energies     occupation 
      1       3.5614      1.00000
      2       4.0800      1.00000
      3      16.1200      0.00000
      4      17.5155      0.00000
      5      19.2738      0.00000
      6      22.0553      0.00000

 k-point  38 :      -0.4211    0.1053    0.0000
  band No.  band energies     occupation 
      1       2.7157      1.00000
      2       5.0131      1.00000
      3      15.7398      0.00000
      4      17.9710      0.00000
      5      19.7615      0.00000
      6      21.6884      0.00000

 k-point  39 :      -0.3684    0.1053    0.0000
  band No.  band energies     occupation 
      1       1.5268      1.00000
      2       6.5526      1.00541
      3      15.4942      0.00000
      4      18.5543      0.00000
      5      20.3784      0.00000
      6      21.4463      0.00000

 k-point  40 :      -0.3158    0.1053    0.0000
  band No.  band energies     occupation 
      1       0.4737      1.00000
      2       8.2172      0.38903
      3      15.3849      0.00000
      4      19.2629      0.00000
      5      21.1196      0.00000
      6      21.3290      0.00000

 k-point  41 :      -0.2632    0.1053    0.0000
  band No.  band energies     occupation 
      1      -0.4390      1.00000
      2       9.9967      0.00000
      3      15.4142      0.00000
      4      20.0885      0.00000
      5      21.3371      0.00000
      6      21.9771      0.00000

 k-point  42 :      -0.2105    0.1053    0.0000
  band No.  band energies     occupation 
      1      -1.2082      1.00000
      2      11.8750      0.00000
      3      15.5894      0.00000
      4      20.9877      0.00000
      5      21.4885      0.00000
      6      22.9367      0.00000

 k-point  43 :      -0.1579    0.1053    0.0000
  band No.  band energies     occupation 
      1      -1.8315      1.00000
      2      13.8062      0.00000
      3      15.9407      0.00000
      4      21.5297      0.00000
      5      22.0959      0.00000
      6      23.8658      0.00000

 k-point  44 :      -0.1053    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.3071      1.00000
      2      15.5410      0.00000
      3      16.6866      0.00000
      4      21.5051      0.00000
      5      22.5764      0.00000
      6      23.7902      0.00000

 k-point  45 :       0.1579    0.1579    0.0000
  band No.  band energies     occupation 
      1      -2.2069      1.00000
      2      17.3016      0.00000
      3      17.3016      0.00000
      4      17.4526      0.00000
      5      20.5861      0.00000
      6      21.0353      0.00000

 k-point  46 :       0.2105    0.1579    0.0000
  band No.  band energies     occupation 
      1      -1.8315      1.00000
      2      15.4550      0.00000
      3      16.8136      0.00000
      4      17.8327      0.00000
      5      19.7120      0.00000
      6      20.5973      0.00000

 k-point  47 :       0.2632    0.1579    0.0000
  band No.  band energies     occupation 
      1      -1.3077      1.00000
      2      13.4750      0.00000
      3      16.4539      0.00000
      4      17.8713      0.00000
      5      18.5303      0.00000
      6      21.3581      0.00000

 k-point  48 :       0.3158    0.1579    0.0000
  band No.  band energies     occupation 
      1      -0.6372      1.00000
      2      11.5417      0.00000
      3      16.2227      0.00000
      4      17.3485      0.00000
      5      17.8907      0.00000
      6      22.5443      0.00000

 k-point  49 :       0.3684    0.1579    0.0000
  band No.  band energies     occupation 
      1       0.1780      1.00000
      2       9.6966     -0.00474
      3      16.1199      0.00000
      4      16.4196      0.00000
      5      17.8232      0.00000
      6      23.9245      0.00000

 k-point  50 :       0.4211    0.1579    0.0000
  band No.  band energies     occupation 
      1       1.1352      1.00000
      2       7.9589      0.58878
      3      15.5939      0.00000
      4      16.1456      0.00000
      5      17.8845      0.00000
      6      24.7557      0.00000

 k-point  51 :       0.4737    0.1579    0.0000
  band No.  band energies     occupation 
      1       2.2310      1.00000
      2       6.3394      1.00000
      3      14.8966      0.00000
      4      16.3001      0.00000
      5      18.0737      0.00000
      6      24.1169      0.00000

 k-point  52 :      -0.4737    0.1579    0.0000
  band No.  band energies     occupation 
      1       3.4566      1.00000
      2       4.8505      1.00000
      3      14.3329      0.00000
      4      16.5836      0.00000
      5      18.3959      0.00000
      6      23.5923      0.00000

 k-point  53 :      -0.4211    0.1579    0.0000
  band No.  band energies     occupation 
      1       3.4586      1.00000
      2       4.8464      1.00000
      3      13.9057      0.00000
      4      16.9961      0.00000
      5      18.8520      0.00000
      6      23.1876      0.00000

 k-point  54 :      -0.3684    0.1579    0.0000
  band No.  band energies     occupation 
      1       2.2321      1.00000
      2       6.3309      1.00000
      3      13.6182      0.00000
      4      17.5374      0.00000
      5      19.4401      0.00000
      6      22.9046      0.00000

 k-point  55 :      -0.3158    0.1579    0.0000
  band No.  band energies     occupation 
      1       1.1357      1.00000
      2       7.9403      0.60566
      3      13.4753      0.00000
      4      18.2068      0.00000
      5      20.1558      0.00000
      6      22.7418      0.00000

 k-point  56 :      -0.2632    0.1579    0.0000
  band No.  band energies     occupation 
      1       0.1782      1.00000
      2       9.6524     -0.00690
      3      13.4886      0.00000
      4      19.0018      0.00000
      5      20.9914      0.00000
      6      22.6898      0.00000

 k-point  57 :      -0.2105    0.1579    0.0000
  band No.  band energies     occupation 
      1      -0.6371      1.00000
      2      11.4139      0.00000
      3      13.7028      0.00000
      4      19.9173      0.00000
      5      21.9339      0.00000
      6      22.7019      0.00000

 k-point  58 :      -0.1579    0.1579    0.0000
  band No.  band energies     occupation 
      1      -1.3077      1.00000
      2      12.9588      0.00000
      3      14.3698      0.00000
      4      20.9382      0.00000
      5      22.4808      0.00000
      6      22.9557      0.00000

 k-point  59 :       0.2105    0.2105    0.0000
  band No.  band energies     occupation 
      1      -1.5070      1.00000
      2      16.2790      0.00000
      3      16.2790      0.00000
      4      16.3041      0.00000
      5      18.3219      0.00000
      6      19.7474      0.00000

 k-point  60 :       0.2632    0.2105    0.0000
  band No.  band energies     occupation 
      1      -1.0342      1.00000
      2      14.4514      0.00000
      3      15.8738      0.00000
      4      16.7983      0.00000
      5      17.0998      0.00000
      6      19.7773      0.00000

 k-point  61 :       0.3158    0.2105    0.0000
  band No.  band energies     occupation 
      1      -0.4145      1.00000
      2      12.5534      0.00000
      3      15.5977      0.00000
      4      15.8885      0.00000
      5      17.0333      0.00000
      6      20.5919      0.00000

 k-point  62 :       0.3684    0.2105    0.0000
  band No.  band energies     occupation 
      1       0.3499      1.00000
      2      10.7047      0.00000
      3      14.8794      0.00000
      4      15.4507      0.00000
      5      17.0476      0.00000
      6      21.8590      0.00000

 k-point  63 :       0.4211    0.2105    0.0000
  band No.  band energies     occupation 
      1       1.2566      1.00000
      2       8.9464     -0.02538
      3      13.9965      0.00000
      4      15.4324      0.00000
      5      17.1049      0.00000
      6      23.3467      0.00000

 k-point  64 :       0.4737    0.2105    0.0000
  band No.  band energies     occupation 
      1       2.3021      1.00000
      2       7.2977      1.00591
      3      13.2463      0.00000
      4      15.5431      0.00000
      5      17.2672      0.00000
      6      24.9309      0.00000

 k-point  65 :      -0.4737    0.2105    0.0000
  band No.  band energies     occupation 
      1       3.4802      1.00000
      2       5.7712      1.00000
      3      12.6327      0.00000
      4      15.7829      0.00000
      5      17.5555      0.00000
      6      25.2477      0.00000

 k-point  66 :      -0.4211    0.2105    0.0000
  band No.  band energies     occupation 
      1       4.3191      1.00000
      2       4.8405      1.00000
      3      12.1600      0.00000
      4      16.1519      0.00000
      5      17.9766      0.00000
      6      24.8092      0.00000

 k-point  67 :      -0.3684    0.2105    0.0000
  band No.  band energies     occupation 
      1       3.0775      1.00000
      2       6.2434      1.00000
      3      11.8343      0.00000
      4      16.6501      0.00000
      5      18.5307      0.00000
      6      24.4886      0.00000

 k-point  68 :      -0.3158    0.2105    0.0000
  band No.  band energies     occupation 
      1       1.9405      1.00000
      2       7.7817      0.75543
      3      11.6699      0.00000
      4      17.2775      0.00000
      5      19.2146      0.00000
      6      24.2823      0.00000

 k-point  69 :      -0.2632    0.2105    0.0000
  band No.  band energies     occupation 
      1       0.9398      1.00000
      2       9.3708     -0.03566
      3      11.7185      0.00000
      4      18.0331      0.00000
      5      20.0209      0.00000
      6      24.1612      0.00000

 k-point  70 :      -0.2105    0.2105    0.0000
  band No.  band energies     occupation 
      1       0.0796      1.00000
      2      10.7320      0.00000
      3      12.2502      0.00000
      4      18.9148      0.00000
      5      20.9365      0.00000
      6      23.8384      0.00000

 k-point  71 :       0.2632    0.2632    0.0000
  band No.  band energies     occupation 
      1      -0.6126      1.00000
      2      15.3291      0.00000
      3      15.4238      0.00000
      4      15.4238      0.00000
      5      15.7173      0.00000
      6      18.9643      0.00000

 k-point  72 :       0.3158    0.2632    0.0000
  band No.  band energies     occupation 
      1      -0.0443      1.00000
      2      13.6170      0.00000
      3      14.5183      0.00000
      4      15.1034      0.00000
      5      16.0227      0.00000
      6      19.0536      0.00000

 k-point  73 :       0.3684    0.2632    0.0000
  band No.  band energies     occupation 
      1       0.6687      1.00000
      2      11.8055      0.00000
      3      13.4518      0.00000
      4      14.9123      0.00000
      5      16.2793      0.00000
      6      19.9456      0.00000

 k-point  74 :       0.4211    0.2632    0.0000
  band No.  band energies     occupation 
      1       1.5237      1.00000
      2      10.0461      0.00000
      3      12.5146      0.00000
      4      14.8502      0.00000
      5      16.3933      0.00000
      6      21.3011      0.00000

 k-point  75 :       0.4737    0.2632    0.0000
  band No.  band energies     occupation 
      1       2.5171      1.00000
      2       8.3790      0.22966
      3      11.7121      0.00000
      4      14.9172      0.00000
      5      16.5481      0.00000
      6      22.8875      0.00000

 k-point  76 :      -0.4737    0.2632    0.0000
  band No.  band energies     occupation 
      1       3.6431      1.00000
      2       6.8236      1.06853
      3      11.0497      0.00000
      4      15.1132      0.00000
      5      16.8084      0.00000
      6      24.5947      0.00000

 k-point  77 :      -0.4211    0.2632    0.0000
  band No.  band energies     occupation 
      1       4.8659      1.00000
      2       5.4181      1.00000
      3      10.5345      0.00000
      4      15.4384      0.00000
      5      17.1949      0.00000
      6      26.3201      0.00000

 k-point  78 :      -0.3684    0.2632    0.0000
  band No.  band energies     occupation 
      1       4.0592      1.00000
      2       6.2788      1.00000
      3      10.1819      0.00000
      4      15.8931      0.00000
      5      17.7133      0.00000
      6      26.1898      0.00000

 k-point  79 :      -0.3158    0.2632    0.0000
  band No.  band energies     occupation 
      1       2.8849      1.00000
      2       7.6920      0.94523
      3      10.0458      0.00000
      4      16.4773      0.00000
      5      18.3622      0.00000
      6      25.9416      0.00000

 k-point  80 :      -0.2632    0.2632    0.0000
  band No.  band energies     occupation 
      1       1.8431      1.00000
      2       8.8753     -0.10182
      3      10.4085      0.00000
      4      17.1908      0.00000
      5      19.1357      0.00000
      6      25.5659      0.00000

 k-point  81 :       0.3158    0.3158    0.0000
  band No.  band energies     occupation 
      1       0.4722      1.00000
      2      13.2509      0.00000
      3      14.5414      0.00000
      4      14.7390      0.00000
      5      14.7390      0.00000
      6      18.2922      0.00000

 k-point  82 :       0.3684    0.3158    0.0000
  band No.  band energies     occupation 
      1       1.1328      1.00000
      2      12.1102      0.00000
      3      12.9930      0.00000
      4      14.5041      0.00000
      5      15.3689      0.00000
      6      18.4603      0.00000

 k-point  83 :       0.4211    0.3158    0.0000
  band No.  band energies     occupation 
      1       1.9349      1.00000
      2      11.0155      0.00000
      3      11.3830      0.00000
      4      14.3983      0.00000
      5      15.7110      0.00000
      6      19.4429      0.00000

 k-point  84 :       0.4737    0.3158    0.0000
  band No.  band energies     occupation 
      1       2.8740      1.00000
      2       9.5384     -0.01352
      3      10.3413      0.00000
      4      14.4216      0.00000
      5      15.9183      0.00000
      6      20.8907      0.00000

 k-point  85 :      -0.4737    0.3158    0.0000
  band No.  band energies     occupation 
      1       3.9426      1.00000
      2       7.9868      0.64747
      3       9.6115     -0.00034
      4      14.5739      0.00000
      5      16.1697      0.00000
      6      22.5716      0.00000

 k-point  86 :      -0.4211    0.3158    0.0000
  band No.  band energies     occupation 
      1       5.1194      1.00000
      2       6.5365      1.00000
      3       9.0584     -0.05052
      4      14.8554      0.00000
      5      16.5276      0.00000
      6      24.3800      0.00000

 k-point  87 :      -0.3684    0.3158    0.0000
  band No.  band energies     occupation 
      1       5.1701      1.00000
      2       6.3891      1.00000
      3       8.7239     -0.02310
      4      15.2662      0.00000
      5      17.0111      0.00000
      6      26.2338      0.00000

 k-point  88 :      -0.3158    0.3158    0.0000
  band No.  band energies     occupation 
      1       3.9651      1.00000
      2       7.3921      1.00050
      3       8.8951      0.00000
      4      15.8068      0.00000
      5      17.6240      0.00000
      6      27.6451      0.00000

 k-point  89 :       0.3684    0.3684    0.0000
  band No.  band energies     occupation 
      1       1.7403      1.00000
      2      10.9410      0.00000
      3      13.9475      0.00000
      4      14.2255      0.00000
      5      14.2255      0.00000
      6      17.7646      0.00000

 k-point  90 :       0.4211    0.3684    0.0000
  band No.  band energies     occupation 
      1       2.4875      1.00000
      2       9.8948     -0.00454
      3      12.5216      0.00000
      4      14.0762      0.00000
      5      14.9017      0.00000
      6      18.0218      0.00000

 k-point  91 :       0.4737    0.3684    0.0000
  band No.  band energies     occupation 
      1       3.3682      1.00000
      2       8.9873     -0.04568
      3      10.9118      0.00000
      4      14.0559      0.00000
      5      15.3292      0.00000
      6      19.0999      0.00000

 k-point  92 :      -0.4737    0.3684    0.0000
  band No.  band energies     occupation 
      1       4.3678      1.00000
      2       8.2232      0.47545
      3       9.3616     -0.00028
      4      14.1646      0.00000
      5      15.6303      0.00000
      6      20.6401      0.00000

 k-point  93 :      -0.4211    0.3684    0.0000
  band No.  band energies     occupation 
      1       5.4352      1.00000
      2       7.5306      1.01189
      3       8.0401      0.27816
      4      14.4024      0.00000
      5      15.9785      0.00000
      6      22.4111      0.00000

 k-point  94 :      -0.3684    0.3684    0.0000
  band No.  band energies     occupation 
      1       6.2818      1.00000
      2       6.3915      1.00000
      3       7.7730      0.75233
      4      14.7695      0.00000
      5      16.4332      0.00000
      6      24.3068      0.00000

 k-point  95 :       0.4211    0.4211    0.0000
  band No.  band energies     occupation 
      1       3.1760      1.00000
      2       8.8088      0.00600
      3      13.5502      0.00000
      4      13.8834      0.00000
      5      13.8834      0.00000
      6      17.4024      0.00000

 k-point  96 :       0.4737    0.4211    0.0000
  band No.  band energies     occupation 
      1       3.9875      1.00000
      2       7.8738      0.66644
      3      12.2413      0.00000
      4      13.8197      0.00000
      5      14.6211      0.00000
      6      17.7533      0.00000

 k-point  97 :      -0.4737    0.4211    0.0000
  band No.  band energies     occupation 
      1       4.8743      1.00000
      2       7.1392      1.05345
      3      10.7197      0.00000
      4      13.8848      0.00000
      5      15.1375      0.00000
      6      18.9262      0.00000

 k-point  98 :      -0.4211    0.4211    0.0000
  band No.  band energies     occupation 
      1       5.5428      1.00000
      2       6.8930      1.00421
      3       9.2494     -0.07666
      4      14.0790      0.00000
      5      15.5339      0.00000
      6      20.5559      0.00000

 k-point  99 :       0.4737    0.4737    0.0000
  band No.  band energies     occupation 
      1       4.6866      1.00000
      2       6.9496      1.04385
      3      13.3513      0.00000
      4      13.7125      0.00000
      5      13.7125      0.00000
      6      17.2184      0.00000

 k-point 100 :      -0.4737    0.4737    0.0000
  band No.  band energies     occupation 
      1       5.1737      1.00000
      2       6.5136      1.00000
      3      12.1479      0.00000
      4      13.7342      0.00000
      5      14.5274      0.00000
      6      17.6629      0.00000

 k-point 101 :       0.1579    0.1053    0.0526
  band No.  band energies     occupation 
      1      -2.6083      1.00000
      2      16.9966      0.00000
      3      17.8415      0.00000
      4      20.2935      0.00000
      5      22.0147      0.00000
      6      23.8512      0.00000

 k-point 102 :       0.2105    0.1053    0.0526
  band No.  band energies     occupation 
      1      -2.2319      1.00000
      2      15.1631      0.00000
      3      17.1238      0.00000
      4      20.3481      0.00000
      5      22.2222      0.00000
      6      22.9490      0.00000

 k-point 103 :       0.2632    0.1053    0.0526
  band No.  band energies     occupation 
      1      -1.7066      1.00000
      2      13.1528      0.00000
      3      16.7264      0.00000
      4      20.1700      0.00000
      5      21.2919      0.00000
      6      23.7123      0.00000

 k-point 104 :       0.3158    0.1053    0.0526
  band No.  band energies     occupation 
      1      -1.0341      1.00000
      2      11.1977      0.00000
      3      16.4812      0.00000
      4      20.0104      0.00000
      5      20.2566      0.00000
      6      23.7830      0.00000

 k-point 105 :       0.3684    0.1053    0.0526
  band No.  band energies     occupation 
      1      -0.2165      1.00000
      2       9.3383     -0.04611
      3      16.3720      0.00000
      4      19.3247      0.00000
      5      19.9444      0.00000
      6      22.9112      0.00000

 k-point 106 :       0.4211    0.1053    0.0526
  band No.  band energies     occupation 
      1       0.7438      1.00000
      2       7.5906      0.85633
      3      16.3957      0.00000
      4      18.5157      0.00000
      5      19.9922      0.00000
      6      22.1257      0.00000

 k-point 107 :       0.4737    0.1053    0.0526
  band No.  band energies     occupation 
      1       1.8436      1.00000
      2       5.9638      1.00000
      3      16.5501      0.00000
      4      17.8358      0.00000
      5      20.1613      0.00000
      6      21.4560      0.00000

 k-point 108 :      -0.4737    0.1053    0.0526
  band No.  band energies     occupation 
      1       3.0750      1.00000
      2       4.4682      1.00000
      3      16.8235      0.00000
      4      17.2990      0.00000
      5      20.4434      0.00000
      6      20.9214      0.00000

 k-point 109 :       0.2105    0.1579    0.0526
  band No.  band energies     occupation 
      1      -2.1067      1.00000
      2      15.7286      0.00000
      3      16.6825      0.00000
      4      19.1774      0.00000
      5      21.0241      0.00000
      6      21.3852      0.00000

 k-point 110 :       0.2632    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.6317      1.00000
      2      13.9798      0.00000
      3      16.0183      0.00000
      4      19.3579      0.00000
      5      19.8619      0.00000
      6      21.8851      0.00000

 k-point 111 :       0.3158    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.0093      1.00000
      2      12.0505      0.00000
      3      15.6916      0.00000
      4      18.7409      0.00000
      5      19.3090      0.00000
      6      22.9652      0.00000

 k-point 112 :       0.3684    0.1579    0.0526
  band No.  band energies     occupation 
      1      -0.2413      1.00000
      2      10.1768      0.00000
      3      15.5241      0.00000
      4      17.7495      0.00000
      5      19.2493      0.00000
      6      24.1114      0.00000

 k-point 113 :       0.4211    0.1579    0.0526
  band No.  band energies     occupation 
      1       0.6699      1.00000
      2       8.4013      0.24426
      3      15.4931      0.00000
      4      16.8867      0.00000
      5      19.2780      0.00000
      6      23.6177      0.00000

 k-point 114 :       0.4737    0.1579    0.0526
  band No.  band energies     occupation 
      1       1.7213      1.00000
      2       6.7400      1.03569
      3      15.5771      0.00000
      4      16.1746      0.00000
      5      19.4212      0.00000
      6      22.9317      0.00000

 k-point 115 :      -0.4737    0.1579    0.0526
  band No.  band energies     occupation 
      1       2.9077      1.00000
      2       5.2035      1.00000
      3      15.4582      0.00000
      4      15.9323      0.00000
      5      19.6883      0.00000
      6      22.3516      0.00000

 k-point 116 :      -0.4211    0.1579    0.0526
  band No.  band energies     occupation 
      1       3.7512      1.00000
      2       4.2718      1.00000
      3      15.0264      0.00000
      4      16.2710      0.00000
      5      20.0812      0.00000
      6      21.8928      0.00000

 k-point 117 :      -0.3684    0.1579    0.0526
  band No.  band energies     occupation 
      1       2.4983      1.00000
      2       5.6987      1.00000
      3      14.6981      0.00000
      4      16.7752      0.00000
      5      20.5940      0.00000
      6      21.5647      0.00000

 k-point 118 :      -0.3158    0.1579    0.0526
  band No.  band energies     occupation 
      1       1.3557      1.00000
      2       7.2757      1.03156
      3      14.5032      0.00000
      4      17.4155      0.00000
      5      21.1373      0.00000
      6      21.4528      0.00000

 k-point 119 :      -0.2632    0.1579    0.0526
  band No.  band energies     occupation 
      1       0.3506      1.00000
      2       8.9706     -0.04816
      3      14.4485      0.00000
      4      18.1865      0.00000
      5      21.1922      0.00000
      6      22.0629      0.00000

 k-point 120 :      -0.2105    0.1579    0.0526
  band No.  band energies     occupation 
      1      -0.5133      1.00000
      2      10.7661      0.00000
      3      14.5442      0.00000
      4      19.0833      0.00000
      5      21.2070      0.00000
      6      22.9041      0.00000

 k-point 121 :      -0.1579    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.2331      1.00000
      2      12.6131      0.00000
      3      14.8276      0.00000
      4      20.0968      0.00000
      5      21.2492      0.00000
      6      23.3476      0.00000

 k-point 122 :      -0.1053    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.8065      1.00000
      2      14.2543      0.00000
      3      15.5330      0.00000
      4      21.0538      0.00000
      5      21.1989      0.00000
      6      22.7253      0.00000

 k-point 123 :       0.2632    0.2105    0.0526
  band No.  band energies     occupation 
      1      -1.4074      1.00000
      2      14.6286      0.00000
      3      15.6547      0.00000
      4      18.1269      0.00000
      5      18.4230      0.00000
      6      20.4777      0.00000

 k-point 124 :       0.3158    0.2105    0.0526
  band No.  band energies     occupation 
      1      -0.8356      1.00000
      2      12.9685      0.00000
      3      15.0546      0.00000
      4      17.2492      0.00000
      5      18.4192      0.00000
      6      21.0882      0.00000

 k-point 125 :       0.3684    0.2105    0.0526
  band No.  band energies     occupation 
      1      -0.1180      1.00000
      2      11.1241      0.00000
      3      14.7993      0.00000
      4      16.2055      0.00000
      5      18.4671      0.00000
      6      22.2478      0.00000

 k-point 126 :       0.4211    0.2105    0.0526
  band No.  band energies     occupation 
      1       0.7431      1.00000
      2       9.3358     -0.05258
      3      14.6829      0.00000
      4      15.3170      0.00000
      5      18.5050      0.00000
      6      23.6454      0.00000

 k-point 127 :       0.4737    0.2105    0.0526
  band No.  band energies     occupation 
      1       1.7447      1.00000
      2       7.6476      0.83233
      3      14.3777      0.00000
      4      14.8916      0.00000
      5      18.6277      0.00000
      6      24.4715      0.00000

 k-point 128 :      -0.4737    0.2105    0.0526
  band No.  band energies     occupation 
      1       2.8825      1.00000
      2       6.0766      1.00000
      3      13.7729      0.00000
      4      15.0379      0.00000
      5      18.8651      0.00000
      6      23.9438      0.00000

 k-point 129 :      -0.4211    0.2105    0.0526
  band No.  band energies     occupation 
      1       4.1263      1.00000
      2       4.6574      1.00000
      3      13.2632      0.00000
      4      15.3619      0.00000
      5      19.2274      0.00000
      6      23.4573      0.00000

 k-point 130 :      -0.3684    0.2105    0.0526
  band No.  band energies     occupation 
      1       3.2929      1.00000
      2       5.5734      1.00000
      3      12.8874      0.00000
      4      15.8267      0.00000
      5      19.7169      0.00000
      6      23.0822      0.00000

 k-point 131 :      -0.3158    0.2105    0.0526
  band No.  band energies     occupation 
      1       2.1104      1.00000
      2       7.0927      1.06899
      3      12.6556      0.00000
      4      16.4263      0.00000
      5      20.3313      0.00000
      6      22.8224      0.00000

 k-point 132 :      -0.2632    0.2105    0.0526
  band No.  band energies     occupation 
      1       1.0622      1.00000
      2       8.7183      0.03337
      3      12.5820      0.00000
      4      17.1576      0.00000
      5      21.0629      0.00000
      6      22.6673      0.00000

 k-point 133 :      -0.2105    0.2105    0.0526
  band No.  band energies     occupation 
      1       0.1535      1.00000
      2      10.3935      0.00000
      3      12.7154      0.00000
      4      18.0173      0.00000
      5      21.8906      0.00000
      6      22.5629      0.00000

 k-point 134 :      -0.1579    0.2105    0.0526
  band No.  band energies     occupation 
      1      -0.6123      1.00000
      2      11.8462      0.00000
      3      13.3167      0.00000
      4      19.0005      0.00000
      5      22.1905      0.00000
      6      22.7712      0.00000

 k-point 135 :       0.3158    0.2632    0.0526
  band No.  band energies     occupation 
      1      -0.5135      1.00000
      2      13.7054      0.00000
      3      14.7668      0.00000
      4      15.8510      0.00000
      5      17.2274      0.00000
      6      19.7120      0.00000

 k-point 136 :       0.3684    0.2632    0.0526
  band No.  band energies     occupation 
      1       0.1529      1.00000
      2      12.1345      0.00000
      3      14.1962      0.00000
      4      14.7975      0.00000
      5      17.6147      0.00000
      6      20.3900      0.00000

 k-point 137 :       0.4211    0.2632    0.0526
  band No.  band energies     occupation 
      1       0.9629      1.00000
      2      10.3771      0.00000
      3      13.6457      0.00000
      4      14.2092      0.00000
      5      17.7598      0.00000
      6      21.6324      0.00000

 k-point 138 :       0.4737    0.2632    0.0526
  band No.  band energies     occupation 
      1       1.9135      1.00000
      2       8.6774      0.06753
      3      12.8581      0.00000
      4      14.1590      0.00000
      5      17.8919      0.00000
      6      23.1432      0.00000

 k-point 139 :      -0.4737    0.2632    0.0526
  band No.  band energies     occupation 
      1       3.0003      1.00000
      2       7.0801      1.05762
      3      12.1627      0.00000
      4      14.2970      0.00000
      5      18.1082      0.00000
      6      24.7260      0.00000

 k-point 140 :      -0.4211    0.2632    0.0526
  band No.  band energies     occupation 
      1       4.2120      1.00000
      2       5.6073      1.00000
      3      11.6002      0.00000
      4      14.5811      0.00000
      5      18.4394      0.00000
      6      25.1020      0.00000

 k-point 141 :      -0.3684    0.2632    0.0526
  band No.  band energies     occupation 
      1       4.2215      1.00000
      2       5.5865      1.00000
      3      11.1826      0.00000
      4      15.0035      0.00000
      5      18.8954      0.00000
      6      24.7272      0.00000

 k-point 142 :      -0.3158    0.2632    0.0526
  band No.  band energies     occupation 
      1       3.0050      1.00000
      2       7.0299      1.05688
      3      10.9261      0.00000
      4      15.5609      0.00000
      5      19.4778      0.00000
      6      24.4228      0.00000

 k-point 143 :      -0.2632    0.2632    0.0526
  band No.  band energies     occupation 
      1       1.9159      1.00000
      2       8.5317      0.12949
      3      10.8843      0.00000
      4      16.2510      0.00000
      5      20.1827      0.00000
      6      24.1729      0.00000

 k-point 144 :      -0.2105    0.2632    0.0526
  band No.  band energies     occupation 
      1       0.9642      1.00000
      2       9.8035      0.00000
      3      11.3336      0.00000
      4      17.0710      0.00000
      5      20.9999      0.00000
      6      23.6940      0.00000

 k-point 145 :       0.3684    0.3158    0.0526
  band No.  band energies     occupation 
      1       0.5705      1.00000
      2      12.9634      0.00000
      3      13.3002      0.00000
      4      14.1569      0.00000
      5      16.5004      0.00000
      6      19.0585      0.00000

 k-point 146 :       0.4211    0.3158    0.0526
  band No.  band energies     occupation 
      1       1.3284      1.00000
      2      11.4695      0.00000
      3      12.3089      0.00000
      4      13.6978      0.00000
      5      16.9791      0.00000
      6      19.8197      0.00000

 k-point 147 :       0.4737    0.3158    0.0526
  band No.  band energies     occupation 
      1       2.2264      1.00000
      2       9.8056      0.00000
      3      11.4277      0.00000
      4      13.6063      0.00000
      5      17.2172      0.00000
      6      21.1511      0.00000

 k-point 148 :      -0.4737    0.3158    0.0526
  band No.  band energies     occupation 
      1       3.2594      1.00000
      2       8.2006      0.37771
      3      10.6743      0.00000
      4      13.6956      0.00000
      5      17.4425      0.00000
      6      22.7605      0.00000

 k-point 149 :      -0.4211    0.3158    0.0526
  band No.  band energies     occupation 
      1       4.4177      1.00000
      2       6.7001      1.02401
      3      10.0648      0.00000
      4      13.9332      0.00000
      5      17.7522      0.00000
      6      24.4988      0.00000

 k-point 150 :      -0.3684    0.3158    0.0526
  band No.  band energies     occupation 
      1       5.2599      1.00000
      2       5.7449      1.00000
      3       9.6164      0.00000
      4      14.3108      0.00000
      5      18.1766      0.00000
      6      26.1008      0.00000

 k-point 151 :      -0.3158    0.3158    0.0526
  band No.  band energies     occupation 
      1       4.0357      1.00000
      2       7.0385      1.00068
      3       9.3838      0.00000
      4      14.8246      0.00000
      5      18.7245      0.00000
      6      26.1017      0.00000

 k-point 152 :      -0.2632    0.3158    0.0526
  band No.  band energies     occupation 
      1       2.9086      1.00000
      2       8.1334      0.67071
      3       9.6530      0.00000
      4      15.4722      0.00000
      5      19.3957      0.00000
      6      25.5489      0.00000

 k-point 153 :       0.4211    0.3684    0.0526
  band No.  band energies     occupation 
      1       1.8376      1.00000
      2      11.0253      0.00000
      3      12.4053      0.00000
      4      13.5978      0.00000
      5      15.9529      0.00000
      6      18.5470      0.00000

 k-point 154 :       0.4737    0.3684    0.0526
  band No.  band energies     occupation 
      1       2.6809      1.00000
      2      10.0609     -0.00013
      3      11.0508      0.00000
      4      13.2344      0.00000
      5      16.5214      0.00000
      6      19.3992      0.00000

 k-point 155 :      -0.4737    0.3684    0.0526
  band No.  band energies     occupation 
      1       3.6558      1.00000
      2       9.1521     -0.13872
      3       9.5922      0.00000
      4      13.2402      0.00000
      5      16.8512      0.00000
      6      20.8220      0.00000

 k-point 156 :      -0.4211    0.3684    0.0526
  band No.  band energies     occupation 
      1       4.7464      1.00000
      2       7.8719      0.88399
      3       8.7178     -0.02723
      4      13.4228      0.00000
      5      17.1695      0.00000
      6      22.5241      0.00000

 k-point 157 :      -0.3684    0.3684    0.0526
  band No.  band energies     occupation 
      1       5.8889      1.00000
      2       6.5014      1.00000
      3       8.2586      0.04304
      4      13.7523      0.00000
      5      17.5720      0.00000
      6      24.3626      0.00000

 k-point 158 :      -0.3158    0.3684    0.0526
  band No.  band energies     occupation 
      1       5.1954      1.00000
      2       6.8367      1.00000
      3       8.3220      0.00602
      4      14.2208      0.00000
      5      18.0880      0.00000
      6      26.2178      0.00000

 k-point 159 :       0.4737    0.4211    0.0526
  band No.  band energies     occupation 
      1       3.2721      1.00000
      2       8.9002     -0.02657
      3      12.0324      0.00000
      4      13.2403      0.00000
      5      15.5873      0.00000
      6      18.1967      0.00000

 k-point 160 :      -0.4737    0.4211    0.0526
  band No.  band energies     occupation 
      1       4.1779      1.00000
      2       8.0588      0.50702
      3      10.7591      0.00000
      4      12.9620      0.00000
      5      16.2457      0.00000
      6      19.1420      0.00000

 k-point 161 :      -0.4211    0.4211    0.0526
  band No.  band energies     occupation 
      1       5.1554      1.00000
      2       7.4153      1.01672
      3       9.2969     -0.01557
      4      13.0585      0.00000
      5      16.6672      0.00000
      6      20.6552      0.00000

 k-point 162 :      -0.3684    0.4211    0.0526
  band No.  band energies     occupation 
      1       5.9122      1.00000
      2       7.2014      1.00000
      3       7.9556      0.47300
      4      13.3321      0.00000
      5      17.0780      0.00000
      6      22.4443      0.00000

 k-point 163 :      -0.4737    0.4737    0.0526
  band No.  band energies     occupation 
      1       4.7805      1.00000
      2       7.0450      1.05219
      3      11.8458      0.00000
      4      13.0623      0.00000
      5      15.4044      0.00000
      6      18.0190      0.00000

 k-point 164 :      -0.4211    0.4737    0.0526
  band No.  band energies     occupation 
      1       5.3582      1.00000
      2       6.7069      1.00000
      3      10.6644      0.00000
      4      12.8714      0.00000
      5      16.1536      0.00000
      6      19.0556      0.00000

 k-point 165 :       0.3158    0.2105    0.1053
  band No.  band energies     occupation 
      1      -1.1087      1.00000
      2      13.1456      0.00000
      3      14.4938      0.00000
      4      18.6689      0.00000
      5      20.1155      0.00000
      6      21.9683      0.00000

 k-point 166 :       0.3684    0.2105    0.1053
  band No.  band energies     occupation 
      1      -0.4391      1.00000
      2      11.5961      0.00000
      3      13.8512      0.00000
      4      17.5887      0.00000
      5      20.4276      0.00000
      6      22.7652      0.00000

 k-point 167 :       0.4211    0.2105    0.1053
  band No.  band energies     occupation 
      1       0.3750      1.00000
      2       9.8354      0.00000
      3      13.6447      0.00000
      4      16.6323      0.00000
      5      20.5059      0.00000
      6      23.4475      0.00000

 k-point 168 :       0.4737    0.2105    0.1053
  band No.  band energies     occupation 
      1       1.3308      1.00000
      2       8.1259      0.45808
      3      13.6303      0.00000
      4      15.8071      0.00000
      5      20.6053      0.00000
      6      22.8041      0.00000

 k-point 169 :      -0.4737    0.2105    0.1053
  band No.  band energies     occupation 
      1       2.4250      1.00000
      2       6.5192      1.00064
      3      13.7617      0.00000
      4      15.1218      0.00000
      5      20.7943      0.00000
      6      22.1528      0.00000

 k-point 170 :      -0.4211    0.2105    0.1053
  band No.  band energies     occupation 
      1       3.6482      1.00000
      2       5.0375      1.00000
      3      13.9937      0.00000
      4      14.6138      0.00000
      5      21.0662      0.00000
      6      21.6404      0.00000

 k-point 171 :       0.3684    0.2632    0.1053
  band No.  band energies     occupation 
      1      -0.2168      1.00000
      2      12.2190      0.00000
      3      13.5971      0.00000
      4      16.1228      0.00000
      5      19.2494      0.00000
      6      21.2624      0.00000

 k-point 172 :       0.4211    0.2632    0.1053
  band No.  band energies     occupation 
      1       0.5466      1.00000
      2      10.7600      0.00000
      3      13.0247      0.00000
      4      15.1172      0.00000
      5      19.6670      0.00000
      6      22.1520      0.00000

 k-point 173 :       0.4737    0.2632    0.1053
  band No.  band energies     occupation 
      1       1.4520      1.00000
      2       9.0868     -0.05895
      3      12.8888      0.00000
      4      14.2507      0.00000
      5      19.8503      0.00000
      6      23.4513      0.00000

 k-point 174 :      -0.4737    0.2632    0.1053
  band No.  band energies     occupation 
      1       2.4960      1.00000
      2       7.4661      0.95091
      3      12.8991      0.00000
      4      13.5697      0.00000
      5      20.0487      0.00000
      6      23.7498      0.00000

 k-point 175 :      -0.4211    0.2632    0.1053
  band No.  band energies     occupation 
      1       3.6722      1.00000
      2       5.9521      1.00000
      3      12.7092      0.00000
      4      13.3816      0.00000
      5      20.3381      0.00000
      6      23.2278      0.00000

 k-point 176 :      -0.3684    0.2632    0.1053
  band No.  band energies     occupation 
      1       4.5049      1.00000
      2       5.0320      1.00000
      3      12.3063      0.00000
      4      13.6916      0.00000
      5      20.7382      0.00000
      6      22.7715      0.00000

 k-point 177 :      -0.3158    0.2632    0.1053
  band No.  band energies     occupation 
      1       3.2682      1.00000
      2       6.4318      1.00000
      3      11.9976      0.00000
      4      14.1934      0.00000
      5      21.2471      0.00000
      6      22.4284      0.00000

 k-point 178 :      -0.2632    0.2632    0.1053
  band No.  band energies     occupation 
      1       2.1339      1.00000
      2       7.9678      0.60016
      3      11.8387      0.00000
      4      14.8424      0.00000
      5      21.8012      0.00000
      6      22.2450      0.00000

 k-point 179 :      -0.2105    0.2632    0.1053
  band No.  band energies     occupation 
      1       1.1351      1.00000
      2       9.5556     -0.00880
      3      11.8866      0.00000
      4      15.6284      0.00000
      5      21.8634      0.00000
      6      22.6456      0.00000

 k-point 180 :      -0.1579    0.2632    0.1053
  band No.  band energies     occupation 
      1       0.2765      1.00000
      2      10.9181      0.00000
      3      12.4102      0.00000
      4      16.5460      0.00000
      5      21.4250      0.00000
      6      22.8621      0.00000

 k-point 181 :       0.4211    0.3158    0.1053
  band No.  band energies     occupation 
      1       0.8649      1.00000
      2      11.4765      0.00000
      3      12.8043      0.00000
      4      13.7504      0.00000
      5      18.5352      0.00000
      6      20.6500      0.00000

 k-point 182 :       0.4737    0.3158    0.1053
  band No.  band energies     occupation 
      1       1.7187      1.00000
      2      10.1056      0.00000
      3      12.2399      0.00000
      4      12.9007      0.00000
      5      19.0514      0.00000
      6      21.6270      0.00000

 k-point 183 :      -0.4737    0.3158    0.1053
  band No.  band energies     occupation 
      1       2.7107      1.00000
      2       8.5215      0.13873
      3      11.7809      0.00000
      4      12.5305      0.00000
      5      19.3331      0.00000
      6      23.0753      0.00000

 k-point 184 :      -0.4211    0.3158    0.1053
  band No.  band energies     occupation 
      1       3.8349      1.00000
      2       6.9931      1.07147
      3      11.1940      0.00000
      4      12.6272      0.00000
      5      19.6263      0.00000
      6      24.5002      0.00000

 k-point 185 :      -0.3684    0.3158    0.1053
  band No.  band energies     occupation 
      1       5.0547      1.00000
      2       5.6004      1.00000
      3      10.6999      0.00000
      4      12.9343      0.00000
      5      20.0092      0.00000
      6      24.4570      0.00000

 k-point 186 :      -0.3158    0.3158    0.1053
  band No.  band energies     occupation 
      1       4.2465      1.00000
      2       6.4667      1.00000
      3      10.3554      0.00000
      4      13.3983      0.00000
      5      20.5031      0.00000
      6      24.0803      0.00000

 k-point 187 :      -0.2632    0.3158    0.1053
  band No.  band energies     occupation 
      1       3.0760      1.00000
      2       7.8779      0.80417
      3      10.2219      0.00000
      4      14.0059      0.00000
      5      21.1106      0.00000
      6      23.7133      0.00000

 k-point 188 :      -0.2105    0.3158    0.1053
  band No.  band energies     occupation 
      1       2.0367      1.00000
      2       9.0610     -0.09707
      3      10.5821      0.00000
      4      14.7509      0.00000
      5      21.8204      0.00000
      6      23.0969      0.00000

 k-point 189 :       0.4737    0.3684    0.1053
  band No.  band energies     occupation 
      1       2.1293      1.00000
      2      10.9190      0.00000
      3      11.2451      0.00000
      4      12.4667      0.00000
      5      17.9930      0.00000
      6      20.1677      0.00000

 k-point 190 :      -0.4737    0.3684    0.1053
  band No.  band energies     occupation 
      1       3.0670      1.00000
      2       9.6202      0.00000
      3      10.4523      0.00000
      4      12.0391      0.00000
      5      18.6040      0.00000
      6      21.2334      0.00000

 k-point 191 :      -0.4211    0.3684    0.1053
  band No.  band energies     occupation 
      1       4.1337      1.00000
      2       8.1333      0.46403
      3       9.7705      0.00000
      4      12.0737      0.00000
      5      18.9806      0.00000
      6      22.7831      0.00000

 k-point 192 :      -0.3684    0.3684    0.1053
  band No.  band energies     occupation 
      1       5.3084      1.00000
      2       6.7070      1.00822
      3       9.2321     -0.01562
      4      12.3262      0.00000
      5      19.3664      0.00000
      6      24.5033      0.00000

 k-point 193 :      -0.3158    0.3684    0.1053
  band No.  band energies     occupation 
      1       5.3520      1.00000
      2       6.5755      1.00000
      3       8.9035     -0.00833
      4      12.7416      0.00000
      5      19.8401      0.00000
      6      25.7047      0.00000

 k-point 194 :      -0.2632    0.3684    0.1053
  band No.  band energies     occupation 
      1       4.1526      1.00000
      2       7.5774      1.00899
      3       9.0753      0.00000
      4      13.3039      0.00000
      5      20.4220      0.00000
      6      25.1166      0.00000

 k-point 195 :      -0.4737    0.4211    0.1053
  band No.  band energies     occupation 
      1       3.5601      1.00000
      2       9.1691     -0.05435
      3      10.5471      0.00000
      4      12.0538      0.00000
      5      17.6294      0.00000
      6      19.8366      0.00000

 k-point 196 :      -0.4211    0.4211    0.1053
  band No.  band energies     occupation 
      1       4.5577      1.00000
      2       8.4121      0.21355
      3       9.3976      0.00000
      4      11.7352      0.00000
      5      18.3334      0.00000
      6      20.9911      0.00000

 k-point 197 :      -0.3684    0.4211    0.1053
  band No.  band energies     occupation 
      1       5.6225      1.00000
      2       7.7148      1.02544
      3       8.1775      0.04021
      4      11.8781      0.00000
      5      18.8026      0.00000
      6      22.6307      0.00000

 k-point 198 :      -0.3158    0.4211    0.1053
  band No.  band energies     occupation 
      1       6.4667      1.00000
      2       6.5650      1.00000
      3       7.9527      0.34019
      4      12.2301      0.00000
      5      19.2790      0.00000
      6      24.4554      0.00000

 k-point 199 :      -0.4211    0.4737    0.1053
  band No.  band energies     occupation 
      1       5.0619      1.00000
      2       7.3288      1.02600
      3      10.3611      0.00000
      4      11.8617      0.00000
      5      17.4471      0.00000
      6      19.6684      0.00000

 k-point 200 :      -0.3684    0.4737    0.1053
  band No.  band energies     occupation 
      1       5.7275      1.00000
      2       7.0860      1.02472
      3       9.2918     -0.01587
      4      11.6382      0.00000
      5      18.2429      0.00000
      6      20.9094      0.00000

 k-point 201 :       0.4737    0.3158    0.1579
  band No.  band energies     occupation 
      1       1.3543      1.00000
      2      10.1754      0.00000
      3      11.6583      0.00000
      4      14.1481      0.00000
      5      20.7407      0.00000
      6      22.4635      0.00000

 k-point 202 :      -0.4737    0.3158    0.1579
  band No.  band energies     occupation 
      1       2.3021      1.00000
      2       8.9019     -0.03514
      3      11.2163      0.00000
      4      13.3140      0.00000
      5      21.3026      0.00000
      6      23.2586      0.00000

 k-point 203 :      -0.4211    0.3158    0.1579
  band No.  band energies     occupation 
      1       3.3857      1.00000
      2       7.4032      1.00314
      3      11.2426      0.00000
      4      12.6290      0.00000
      5      21.6170      0.00000
      6      23.0141      0.00000

 k-point 204 :      -0.3684    0.3158    0.1579
  band No.  band energies     occupation 
      1       4.5932      1.00000
      2       5.9646      1.00000
      3      11.4182      0.00000
      4      12.1461      0.00000
      5      21.9121      0.00000
      6      22.5539      0.00000

 k-point 205 :      -0.4737    0.3684    0.1579
  band No.  band energies     occupation 
      1       2.6140      1.00000
      2       9.6183      0.00000
      3      10.9938      0.00000
      4      11.9716      0.00000
      5      20.2105      0.00000
      6      22.0534      0.00000

 k-point 206 :      -0.4211    0.3684    0.1579
  band No.  band energies     occupation 
      1       3.6439      1.00000
      2       8.4319      0.18291
      3      10.5687      0.00000
      4      11.3029      0.00000
      5      20.8748      0.00000
      6      23.1770      0.00000

 k-point 207 :      -0.3684    0.3684    0.1579
  band No.  band energies     occupation 
      1       4.7984      1.00000
      2       7.0256      1.07347
      3      10.2964      0.00000
      4      11.1087      0.00000
      5      21.2977      0.00000
      6      24.1036      0.00000

 k-point 208 :      -0.3158    0.3684    0.1579
  band No.  band energies     occupation 
      1       5.6204      1.00000
      2       6.1184      1.00000
      3       9.9353      0.00000
      4      11.3747      0.00000
      5      21.7361      0.00000
      6      23.7835      0.00000

 k-point 209 :      -0.2632    0.3684    0.1579
  band No.  band energies     occupation 
      1       4.4085      1.00000
      2       7.4103      1.03163
      3       9.7253      0.00000
      4      11.8641      0.00000
      5      22.2478      0.00000
      6      23.3342      0.00000

 k-point 210 :      -0.2105    0.3684    0.1579
  band No.  band energies     occupation 
      1       3.2896      1.00000
      2       8.5044      0.17660
      3       9.9954      0.00000
      4      12.5159      0.00000
      5      22.5927      0.00000
      6      22.8157      0.00000

 k-point 211 :      -0.4211    0.4211    0.1579
  band No.  band energies     occupation 
      1       4.0386      1.00000
      2       9.2468     -0.05376
      3       9.5712      0.00000
      4      10.9065      0.00000
      5      19.8523      0.00000
      6      21.7564      0.00000

 k-point 212 :      -0.3684    0.4211    0.1579
  band No.  band energies     occupation 
      1       5.1251      1.00000
      2       8.1306      0.62682
      3       8.9981      0.00000
      4      10.6153      0.00000
      5      20.6126      0.00000
      6      22.9978      0.00000

 k-point 213 :      -0.3158    0.4211    0.1579
  band No.  band energies     occupation 
      1       6.2629      1.00000
      2       6.8311      1.00084
      3       8.5966     -0.01661
      4      10.8191      0.00000
      5      21.1306      0.00000
      6      24.5947      0.00000

 k-point 214 :      -0.2632    0.4211    0.1579
  band No.  band energies     occupation 
      1       5.5546      1.00000
      2       7.2069      1.00013
      3       8.6718     -0.00125
      4      11.2561      0.00000
      5      21.6601      0.00000
      6      24.7903      0.00000

 k-point 215 :      -0.3684    0.4737    0.1579
  band No.  band energies     occupation 
      1       5.5300      1.00000
      2       7.7896      0.91749
      3       9.0612      0.00000
      4      10.6629      0.00000
      5      19.6722      0.00000
      6      21.6028      0.00000

 k-point 216 :      -0.3158    0.4737    0.1579
  band No.  band energies     occupation 
      1       6.2818      1.00000
      2       7.5875      1.00147
      3       8.1449      0.02052
      4      10.4946      0.00000
      5      20.5246      0.00000
      6      22.9307      0.00000

 k-point 217 :      -0.3684    0.4211    0.2105
  band No.  band energies     occupation 
      1       4.7052      1.00000
      2       8.1335      0.61618
      3       9.4964      0.00000
      4      10.5372      0.00000
      5      22.2450      0.00000
      6      23.5208      0.00000

 k-point 218 :      -0.3158    0.4211    0.2105
  band No.  band energies     occupation 
      1       5.8740      1.00000
      2       7.1294      1.01461
      3       9.2562      0.00000
      4      10.0727      0.00000
      5      22.9952      0.00000
      6      23.5935      0.00000

 k-point 219 :      -0.3158    0.4737    0.2105
  band No.  band energies     occupation 
      1       6.1826      1.00000
      2       7.9481      1.01236
      3       8.3597      0.00000
      4       9.6617      0.00000
      5      22.0690      0.00000
      6      23.5831      0.00000

 k-point 220 :      -0.2632    0.4737    0.2105
  band No.  band energies     occupation 
      1       7.0104      1.00000
      2       7.0218      1.00000
      3       8.3554      0.00000
      4       9.5848      0.00000
      5      22.9451      0.00000
      6      24.6219      0.00000

 spin component 2

 k-point   1 :       0.0000    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.1118      1.00000
      2      20.7214      0.00000
      3      20.7214      0.00000
      4      20.7214      0.00000
      5      22.2613      0.00000
      6      22.2613      0.00000

 k-point   2 :       0.0526    0.0000    0.0000
  band No.  band energies     occupation 
      1      -3.0361      1.00000
      2      19.3192      0.00000
      3      20.4408      0.00000
      4      20.4408      0.00000
      5      22.6602      0.00000
      6      22.6602      0.00000

 k-point   3 :       0.1053    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.8095      1.00000
      2      17.2163      0.00000
      3      19.9594      0.00000
      4      19.9594      0.00000
      5      22.8940      0.00000
      6      23.4742      0.00000

 k-point   4 :       0.1579    0.0000    0.0000
  band No.  band energies     occupation 
      1      -2.4325      1.00000
      2      15.0839      0.00000
      3      19.5256      0.00000
      4      19.5256      0.00000
      5      22.7470      0.00000
      6      24.1771      0.00000

 k-point   5 :       0.2105    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.9065      1.00000
      2      13.0128      0.00000
      3      19.1937      0.00000
      4      19.1937      0.00000
      5      22.5768      0.00000
      6      23.6004      0.00000

 k-point   6 :       0.2632    0.0000    0.0000
  band No.  band energies     occupation 
      1      -1.2330      1.00000
      2      11.0340      0.00000
      3      18.9786      0.00000
      4      18.9786      0.00000
      5      22.4610      0.00000
      6      22.6497      0.00000

 k-point   7 :       0.3158    0.0000    0.0000
  band No.  band energies     occupation 
      1      -0.4142      1.00000
      2       9.1627     -0.06440
      3      18.8858      0.00000
      4      18.8858      0.00000
      5      21.7585      0.00000
      6      21.7585      0.00000

 k-point   8 :       0.3684    0.0000    0.0000
  band No.  band energies     occupation 
      1       0.5476      1.00000
      2       7.4080      0.96986
      3      18.9177      0.00000
      4      18.9177      0.00000
      5      20.9749      0.00000
      6      20.9749      0.00000

 k-point   9 :       0.4211    0.0000    0.0000
  band No.  band energies     occupation 
      1       1.6491      1.00000
      2       5.7764      1.00000
      3      19.0758      0.00000
      4      19.0758      0.00000
      5      20.3114      0.00000
      6      20.3114      0.00000

 k-point  10 :       0.4737    0.0000    0.0000
  band No.  band energies     occupation 
      1       2.8831      1.00000
      2       4.2770      1.00000
      3      19.3606      0.00000
      4      19.3606      0.00000
      5      19.7728      0.00000
      6      19.7728      0.00000

 k-point  11 :       0.0526    0.0526    0.0000
  band No.  band energies     occupation 
      1      -3.0109      1.00000
      2      19.7769      0.00000
      3      19.7769      0.00000
      4      20.0217      0.00000
      5      22.0175      0.00000
      6      23.3543      0.00000

 k-point  12 :       0.1053    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.8346      1.00000
      2      17.9371      0.00000
      3      19.1664      0.00000
      4      20.0798      0.00000
      5      22.1588      0.00000
      6      23.7455      0.00000

 k-point  13 :       0.1579    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.5078      1.00000
      2      15.8269      0.00000
      3      18.6600      0.00000
      4      19.8509      0.00000
      5      22.8094      0.00000
      6      23.6922      0.00000

 k-point  14 :       0.2105    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.0316      1.00000
      2      13.7428      0.00000
      3      18.2716      0.00000
      4      19.5571      0.00000
      5      22.4897      0.00000
      6      23.4984      0.00000

 k-point  15 :       0.2632    0.0526    0.0000
  band No.  band energies     occupation 
      1      -1.4073      1.00000
      2      11.7372      0.00000
      3      18.0064      0.00000
      4      19.3308      0.00000
      5      21.4806      0.00000
      6      23.3621      0.00000

 k-point  16 :       0.3158    0.0526    0.0000
  band No.  band energies     occupation 
      1      -0.6370      1.00000
      2       9.8324     -0.00055
      3      17.8665      0.00000
      4      19.2104      0.00000
      5      20.5290      0.00000
      6      23.1783      0.00000

 k-point  17 :       0.3684    0.0526    0.0000
  band No.  band energies     occupation 
      1       0.2769      1.00000
      2       8.0403      0.52342
      3      17.8531      0.00000
      4      19.2072      0.00000
      5      19.6913      0.00000
      6      22.3695      0.00000

 k-point  18 :       0.4211    0.0526    0.0000
  band No.  band energies     occupation 
      1       1.3317      1.00000
      2       6.3685      1.00000
      3      17.9671      0.00000
      4      18.9591      0.00000
      5      19.3471      0.00000
      6      21.6725      0.00000

 k-point  19 :       0.4737    0.0526    0.0000
  band No.  band energies     occupation 
      1       2.5227      1.00000
      2       4.8242      1.00000
      3      18.2088      0.00000
      4      18.3724      0.00000
      5      19.5967      0.00000
      6      21.0959      0.00000

 k-point  20 :      -0.4737    0.0526    0.0000
  band No.  band energies     occupation 
      1       3.3722      1.00000
      2       3.8862      1.00000
      3      17.9106      0.00000
      4      18.5787      0.00000
      5      19.9792      0.00000
      6      20.6436      0.00000

 k-point  21 :      -0.4211    0.0526    0.0000
  band No.  band energies     occupation 
      1       2.1111      1.00000
      2       5.3239      1.00000
      3      17.5784      0.00000
      4      19.0761      0.00000
      5      20.3173      0.00000
      6      20.4896      0.00000

 k-point  22 :      -0.3684    0.0526    0.0000
  band No.  band energies     occupation 
      1       0.9647      1.00000
      2       6.9116      1.06331
      3      17.3765      0.00000
      4      19.6958      0.00000
      5      20.1217      0.00000
      6      21.1246      0.00000

 k-point  23 :      -0.3158    0.0526    0.0000
  band No.  band energies     occupation 
      1      -0.0435      1.00000
      2       8.6239      0.09708
      3      17.3048      0.00000
      4      20.0243      0.00000
      5      20.4671      0.00000
      6      21.8769      0.00000

 k-point  24 :      -0.2632    0.0526    0.0000
  band No.  band energies     occupation 
      1      -0.9099      1.00000
      2      10.4538      0.00000
      3      17.3630      0.00000
      4      20.0752      0.00000
      5      21.3307      0.00000
      6      22.7077      0.00000

 k-point  25 :      -0.2105    0.0526    0.0000
  band No.  band energies     occupation 
      1      -1.6317      1.00000
      2      12.3919      0.00000
      3      17.5506      0.00000
      4      20.2381      0.00000
      5      22.2949      0.00000
      6      23.0515      0.00000

 k-point  26 :      -0.1579    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.2069      1.00000
      2      14.4217      0.00000
      3      17.8675      0.00000
      4      20.5031      0.00000
      5      23.1834      0.00000
      6      23.1899      0.00000

 k-point  27 :      -0.1053    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.6334      1.00000
      2      16.5029      0.00000
      3      18.3206      0.00000
      4      20.8164      0.00000
      5      22.8893      0.00000
      6      23.2903      0.00000

 k-point  28 :      -0.0526    0.0526    0.0000
  band No.  band energies     occupation 
      1      -2.9102      1.00000
      2      18.4101      0.00000
      3      19.0462      0.00000
      4      20.9176      0.00000
      5      22.3888      0.00000
      6      23.1628      0.00000

 k-point  29 :       0.1053    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.7089      1.00000
      2      18.4818      0.00000
      3      18.4818      0.00000
      4      18.7367      0.00000
      5      21.3935      0.00000
      6      23.7805      0.00000

 k-point  30 :       0.1579    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.4325      1.00000
      2      16.6239      0.00000
      3      17.9175      0.00000
      4      18.9626      0.00000
      5      21.4076      0.00000
      6      22.4674      0.00000

 k-point  31 :       0.2105    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.0065      1.00000
      2      14.5696      0.00000
      3      17.4779      0.00000
      4      18.9070      0.00000
      5      21.1258      0.00000
      6      22.2390      0.00000

 k-point  32 :       0.2632    0.1053    0.0000
  band No.  band energies     occupation 
      1      -1.4322      1.00000
      2      12.5565      0.00000
      3      17.1647      0.00000
      4      18.7277      0.00000
      5      20.0097      0.00000
      6      23.3234      0.00000

 k-point  33 :       0.3158    0.1053    0.0000
  band No.  band energies     occupation 
      1      -0.7114      1.00000
      2      10.6285      0.00000
      3      16.9787      0.00000
      4      18.5719      0.00000
      5      19.0123      0.00000
      6      24.5064      0.00000

 k-point  34 :       0.3684    0.1053    0.0000
  band No.  band energies     occupation 
      1       0.1536      1.00000
      2       8.8051      0.00248
      3      16.9205      0.00000
      4      18.0355      0.00000
      5      18.6188      0.00000
      6      23.8806      0.00000

 k-point  35 :       0.4211    0.1053    0.0000
  band No.  band energies     occupation 
      1       1.1602      1.00000
      2       7.0973      1.06836
      3      16.9903      0.00000
      4      17.2761      0.00000
      5      18.6970      0.00000
      6      23.1564      0.00000

 k-point  36 :       0.4737    0.1053    0.0000
  band No.  band energies     occupation 
      1       2.3046      1.00000
      2       5.5132      1.00000
      3      16.6331      0.00000
      4      17.1886      0.00000
      5      18.9183      0.00000
      6      22.5457      0.00000

 k-point  37 :      -0.4737    0.1053    0.0000
  band No.  band energies     occupation 
      1       3.5614      1.00000
      2       4.0800      1.00000
      3      16.1200      0.00000
      4      17.5155      0.00000
      5      19.2738      0.00000
      6      22.0553      0.00000

 k-point  38 :      -0.4211    0.1053    0.0000
  band No.  band energies     occupation 
      1       2.7158      1.00000
      2       5.0131      1.00000
      3      15.7398      0.00000
      4      17.9710      0.00000
      5      19.7615      0.00000
      6      21.6884      0.00000

 k-point  39 :      -0.3684    0.1053    0.0000
  band No.  band energies     occupation 
      1       1.5269      1.00000
      2       6.5526      1.00541
      3      15.4942      0.00000
      4      18.5544      0.00000
      5      20.3785      0.00000
      6      21.4463      0.00000

 k-point  40 :      -0.3158    0.1053    0.0000
  band No.  band energies     occupation 
      1       0.4737      1.00000
      2       8.2172      0.38901
      3      15.3849      0.00000
      4      19.2629      0.00000
      5      21.1196      0.00000
      6      21.3291      0.00000

 k-point  41 :      -0.2632    0.1053    0.0000
  band No.  band energies     occupation 
      1      -0.4390      1.00000
      2       9.9968      0.00000
      3      15.4142      0.00000
      4      20.0885      0.00000
      5      21.3371      0.00000
      6      21.9771      0.00000

 k-point  42 :      -0.2105    0.1053    0.0000
  band No.  band energies     occupation 
      1      -1.2082      1.00000
      2      11.8750      0.00000
      3      15.5894      0.00000
      4      20.9877      0.00000
      5      21.4885      0.00000
      6      22.9367      0.00000

 k-point  43 :      -0.1579    0.1053    0.0000
  band No.  band energies     occupation 
      1      -1.8315      1.00000
      2      13.8062      0.00000
      3      15.9407      0.00000
      4      21.5297      0.00000
      5      22.0959      0.00000
      6      23.8660      0.00000

 k-point  44 :      -0.1053    0.1053    0.0000
  band No.  band energies     occupation 
      1      -2.3071      1.00000
      2      15.5411      0.00000
      3      16.6866      0.00000
      4      21.5051      0.00000
      5      22.5765      0.00000
      6      23.7953      0.00000

 k-point  45 :       0.1579    0.1579    0.0000
  band No.  band energies     occupation 
      1      -2.2068      1.00000
      2      17.3016      0.00000
      3      17.3016      0.00000
      4      17.4526      0.00000
      5      20.5861      0.00000
      6      21.0353      0.00000

 k-point  46 :       0.2105    0.1579    0.0000
  band No.  band energies     occupation 
      1      -1.8315      1.00000
      2      15.4551      0.00000
      3      16.8136      0.00000
      4      17.8328      0.00000
      5      19.7120      0.00000
      6      20.5973      0.00000

 k-point  47 :       0.2632    0.1579    0.0000
  band No.  band energies     occupation 
      1      -1.3077      1.00000
      2      13.4750      0.00000
      3      16.4540      0.00000
      4      17.8713      0.00000
      5      18.5303      0.00000
      6      21.3581      0.00000

 k-point  48 :       0.3158    0.1579    0.0000
  band No.  band energies     occupation 
      1      -0.6372      1.00000
      2      11.5417      0.00000
      3      16.2227      0.00000
      4      17.3485      0.00000
      5      17.8907      0.00000
      6      22.5443      0.00000

 k-point  49 :       0.3684    0.1579    0.0000
  band No.  band energies     occupation 
      1       0.1780      1.00000
      2       9.6967     -0.00474
      3      16.1199      0.00000
      4      16.4196      0.00000
      5      17.8232      0.00000
      6      23.9245      0.00000

 k-point  50 :       0.4211    0.1579    0.0000
  band No.  band energies     occupation 
      1       1.1352      1.00000
      2       7.9589      0.58876
      3      15.5940      0.00000
      4      16.1456      0.00000
      5      17.8845      0.00000
      6      24.7557      0.00000

 k-point  51 :       0.4737    0.1579    0.0000
  band No.  band energies     occupation 
      1       2.2310      1.00000
      2       6.3395      1.00000
      3      14.8967      0.00000
      4      16.3002      0.00000
      5      18.0737      0.00000
      6      24.1169      0.00000

 k-point  52 :      -0.4737    0.1579    0.0000
  band No.  band energies     occupation 
      1       3.4566      1.00000
      2       4.8506      1.00000
      3      14.3329      0.00000
      4      16.5836      0.00000
      5      18.3959      0.00000
      6      23.5923      0.00000

 k-point  53 :      -0.4211    0.1579    0.0000
  band No.  band energies     occupation 
      1       3.4586      1.00000
      2       4.8464      1.00000
      3      13.9057      0.00000
      4      16.9961      0.00000
      5      18.8520      0.00000
      6      23.1876      0.00000

 k-point  54 :      -0.3684    0.1579    0.0000
  band No.  band energies     occupation 
      1       2.2321      1.00000
      2       6.3309      1.00000
      3      13.6182      0.00000
      4      17.5374      0.00000
      5      19.4401      0.00000
      6      22.9046      0.00000

 k-point  55 :      -0.3158    0.1579    0.0000
  band No.  band energies     occupation 
      1       1.1358      1.00000
      2       7.9404      0.60564
      3      13.4753      0.00000
      4      18.2068      0.00000
      5      20.1558      0.00000
      6      22.7419      0.00000

 k-point  56 :      -0.2632    0.1579    0.0000
  band No.  band energies     occupation 
      1       0.1783      1.00000
      2       9.6524     -0.00690
      3      13.4886      0.00000
      4      19.0019      0.00000
      5      20.9915      0.00000
      6      22.6898      0.00000

 k-point  57 :      -0.2105    0.1579    0.0000
  band No.  band energies     occupation 
      1      -0.6371      1.00000
      2      11.4140      0.00000
      3      13.7029      0.00000
      4      19.9173      0.00000
      5      21.9339      0.00000
      6      22.7019      0.00000

 k-point  58 :      -0.1579    0.1579    0.0000
  band No.  band energies     occupation 
      1      -1.3077      1.00000
      2      12.9589      0.00000
      3      14.3698      0.00000
      4      20.9382      0.00000
      5      22.4808      0.00000
      6      22.9557      0.00000

 k-point  59 :       0.2105    0.2105    0.0000
  band No.  band energies     occupation 
      1      -1.5070      1.00000
      2      16.2790      0.00000
      3      16.2790      0.00000
      4      16.3042      0.00000
      5      18.3219      0.00000
      6      19.7475      0.00000

 k-point  60 :       0.2632    0.2105    0.0000
  band No.  band energies     occupation 
      1      -1.0342      1.00000
      2      14.4514      0.00000
      3      15.8738      0.00000
      4      16.7983      0.00000
      5      17.0998      0.00000
      6      19.7774      0.00000

 k-point  61 :       0.3158    0.2105    0.0000
  band No.  band energies     occupation 
      1      -0.4145      1.00000
      2      12.5534      0.00000
      3      15.5978      0.00000
      4      15.8885      0.00000
      5      17.0333      0.00000
      6      20.5919      0.00000

 k-point  62 :       0.3684    0.2105    0.0000
  band No.  band energies     occupation 
      1       0.3500      1.00000
      2      10.7047      0.00000
      3      14.8794      0.00000
      4      15.4507      0.00000
      5      17.0476      0.00000
      6      21.8591      0.00000

 k-point  63 :       0.4211    0.2105    0.0000
  band No.  band energies     occupation 
      1       1.2566      1.00000
      2       8.9464     -0.02539
      3      13.9966      0.00000
      4      15.4325      0.00000
      5      17.1049      0.00000
      6      23.3467      0.00000

 k-point  64 :       0.4737    0.2105    0.0000
  band No.  band energies     occupation 
      1       2.3021      1.00000
      2       7.2977      1.00590
      3      13.2463      0.00000
      4      15.5432      0.00000
      5      17.2672      0.00000
      6      24.9309      0.00000

 k-point  65 :      -0.4737    0.2105    0.0000
  band No.  band energies     occupation 
      1       3.4802      1.00000
      2       5.7713      1.00000
      3      12.6328      0.00000
      4      15.7829      0.00000
      5      17.5556      0.00000
      6      25.2477      0.00000

 k-point  66 :      -0.4211    0.2105    0.0000
  band No.  band energies     occupation 
      1       4.3191      1.00000
      2       4.8405      1.00000
      3      12.1600      0.00000
      4      16.1519      0.00000
      5      17.9766      0.00000
      6      24.8092      0.00000

 k-point  67 :      -0.3684    0.2105    0.0000
  band No.  band energies     occupation 
      1       3.0776      1.00000
      2       6.2434      1.00000
      3      11.8343      0.00000
      4      16.6501      0.00000
      5      18.5307      0.00000
      6      24.4886      0.00000

 k-point  68 :      -0.3158    0.2105    0.0000
  band No.  band energies     occupation 
      1       1.9405      1.00000
      2       7.7817      0.75541
      3      11.6699      0.00000
      4      17.2775      0.00000
      5      19.2146      0.00000
      6      24.2823      0.00000

 k-point  69 :      -0.2632    0.2105    0.0000
  band No.  band energies     occupation 
      1       0.9398      1.00000
      2       9.3708     -0.03565
      3      11.7185      0.00000
      4      18.0331      0.00000
      5      20.0209      0.00000
      6      24.1613      0.00000

 k-point  70 :      -0.2105    0.2105    0.0000
  band No.  band energies     occupation 
      1       0.0797      1.00000
      2      10.7320      0.00000
      3      12.2502      0.00000
      4      18.9148      0.00000
      5      20.9365      0.00000
      6      23.8384      0.00000

 k-point  71 :       0.2632    0.2632    0.0000
  band No.  band energies     occupation 
      1      -0.6125      1.00000
      2      15.3291      0.00000
      3      15.4238      0.00000
      4      15.4238      0.00000
      5      15.7174      0.00000
      6      18.9643      0.00000

 k-point  72 :       0.3158    0.2632    0.0000
  band No.  band energies     occupation 
      1      -0.0443      1.00000
      2      13.6171      0.00000
      3      14.5183      0.00000
      4      15.1034      0.00000
      5      16.0227      0.00000
      6      19.0536      0.00000

 k-point  73 :       0.3684    0.2632    0.0000
  band No.  band energies     occupation 
      1       0.6687      1.00000
      2      11.8055      0.00000
      3      13.4518      0.00000
      4      14.9123      0.00000
      5      16.2794      0.00000
      6      19.9456      0.00000

 k-point  74 :       0.4211    0.2632    0.0000
  band No.  band energies     occupation 
      1       1.5237      1.00000
      2      10.0462      0.00000
      3      12.5146      0.00000
      4      14.8502      0.00000
      5      16.3933      0.00000
      6      21.3011      0.00000

 k-point  75 :       0.4737    0.2632    0.0000
  band No.  band energies     occupation 
      1       2.5172      1.00000
      2       8.3790      0.22964
      3      11.7121      0.00000
      4      14.9172      0.00000
      5      16.5482      0.00000
      6      22.8875      0.00000

 k-point  76 :      -0.4737    0.2632    0.0000
  band No.  band energies     occupation 
      1       3.6431      1.00000
      2       6.8236      1.06854
      3      11.0497      0.00000
      4      15.1132      0.00000
      5      16.8084      0.00000
      6      24.5947      0.00000

 k-point  77 :      -0.4211    0.2632    0.0000
  band No.  band energies     occupation 
      1       4.8659      1.00000
      2       5.4181      1.00000
      3      10.5345      0.00000
      4      15.4384      0.00000
      5      17.1949      0.00000
      6      26.3202      0.00000

 k-point  78 :      -0.3684    0.2632    0.0000
  band No.  band energies     occupation 
      1       4.0592      1.00000
      2       6.2788      1.00000
      3      10.1819      0.00000
      4      15.8931      0.00000
      5      17.7133      0.00000
      6      26.1898      0.00000

 k-point  79 :      -0.3158    0.2632    0.0000
  band No.  band energies     occupation 
      1       2.8850      1.00000
      2       7.6920      0.94521
      3      10.0458      0.00000
      4      16.4773      0.00000
      5      18.3623      0.00000
      6      25.9416      0.00000

 k-point  80 :      -0.2632    0.2632    0.0000
  band No.  band energies     occupation 
      1       1.8431      1.00000
      2       8.8754     -0.10182
      3      10.4085      0.00000
      4      17.1909      0.00000
      5      19.1357      0.00000
      6      25.5659      0.00000

 k-point  81 :       0.3158    0.3158    0.0000
  band No.  band energies     occupation 
      1       0.4722      1.00000
      2      13.2509      0.00000
      3      14.5415      0.00000
      4      14.7390      0.00000
      5      14.7390      0.00000
      6      18.2922      0.00000

 k-point  82 :       0.3684    0.3158    0.0000
  band No.  band energies     occupation 
      1       1.1329      1.00000
      2      12.1102      0.00000
      3      12.9930      0.00000
      4      14.5041      0.00000
      5      15.3689      0.00000
      6      18.4604      0.00000

 k-point  83 :       0.4211    0.3158    0.0000
  band No.  band energies     occupation 
      1       1.9349      1.00000
      2      11.0155      0.00000
      3      11.3830      0.00000
      4      14.3984      0.00000
      5      15.7110      0.00000
      6      19.4429      0.00000

 k-point  84 :       0.4737    0.3158    0.0000
  band No.  band energies     occupation 
      1       2.8741      1.00000
      2       9.5384     -0.01352
      3      10.3413      0.00000
      4      14.4216      0.00000
      5      15.9183      0.00000
      6      20.8907      0.00000

 k-point  85 :      -0.4737    0.3158    0.0000
  band No.  band energies     occupation 
      1       3.9426      1.00000
      2       7.9869      0.64744
      3       9.6116     -0.00034
      4      14.5739      0.00000
      5      16.1697      0.00000
      6      22.5716      0.00000

 k-point  86 :      -0.4211    0.3158    0.0000
  band No.  band energies     occupation 
      1       5.1194      1.00000
      2       6.5365      1.00000
      3       9.0584     -0.05051
      4      14.8554      0.00000
      5      16.5276      0.00000
      6      24.3800      0.00000

 k-point  87 :      -0.3684    0.3158    0.0000
  band No.  band energies     occupation 
      1       5.1701      1.00000
      2       6.3892      1.00000
      3       8.7239     -0.02310
      4      15.2663      0.00000
      5      17.0111      0.00000
      6      26.2338      0.00000

 k-point  88 :      -0.3158    0.3158    0.0000
  band No.  band energies     occupation 
      1       3.9651      1.00000
      2       7.3921      1.00050
      3       8.8951      0.00000
      4      15.8069      0.00000
      5      17.6240      0.00000
      6      27.6405      0.00000

 k-point  89 :       0.3684    0.3684    0.0000
  band No.  band energies     occupation 
      1       1.7403      1.00000
      2      10.9411      0.00000
      3      13.9475      0.00000
      4      14.2256      0.00000
      5      14.2256      0.00000
      6      17.7646      0.00000

 k-point  90 :       0.4211    0.3684    0.0000
  band No.  band energies     occupation 
      1       2.4875      1.00000
      2       9.8948     -0.00454
      3      12.5216      0.00000
      4      14.0762      0.00000
      5      14.9018      0.00000
      6      18.0219      0.00000

 k-point  91 :       0.4737    0.3684    0.0000
  band No.  band energies     occupation 
      1       3.3682      1.00000
      2       8.9873     -0.04568
      3      10.9118      0.00000
      4      14.0560      0.00000
      5      15.3293      0.00000
      6      19.0999      0.00000

 k-point  92 :      -0.4737    0.3684    0.0000
  band No.  band energies     occupation 
      1       4.3678      1.00000
      2       8.2233      0.47542
      3       9.3616     -0.00027
      4      14.1646      0.00000
      5      15.6304      0.00000
      6      20.6401      0.00000

 k-point  93 :      -0.4211    0.3684    0.0000
  band No.  band energies     occupation 
      1       5.4352      1.00000
      2       7.5306      1.01190
      3       8.0401      0.27812
      4      14.4024      0.00000
      5      15.9786      0.00000
      6      22.4111      0.00000

 k-point  94 :      -0.3684    0.3684    0.0000
  band No.  band energies     occupation 
      1       6.2818      1.00000
      2       6.3915      1.00000
      3       7.7731      0.75229
      4      14.7695      0.00000
      5      16.4332      0.00000
      6      24.3068      0.00000

 k-point  95 :       0.4211    0.4211    0.0000
  band No.  band energies     occupation 
      1       3.1761      1.00000
      2       8.8088      0.00599
      3      13.5503      0.00000
      4      13.8834      0.00000
      5      13.8834      0.00000
      6      17.4024      0.00000

 k-point  96 :       0.4737    0.4211    0.0000
  band No.  band energies     occupation 
      1       3.9876      1.00000
      2       7.8738      0.66642
      3      12.2413      0.00000
      4      13.8197      0.00000
      5      14.6211      0.00000
      6      17.7533      0.00000

 k-point  97 :      -0.4737    0.4211    0.0000
  band No.  band energies     occupation 
      1       4.8743      1.00000
      2       7.1392      1.05345
      3      10.7198      0.00000
      4      13.8848      0.00000
      5      15.1375      0.00000
      6      18.9262      0.00000

 k-point  98 :      -0.4211    0.4211    0.0000
  band No.  band energies     occupation 
      1       5.5428      1.00000
      2       6.8930      1.00421
      3       9.2494     -0.07666
      4      14.0790      0.00000
      5      15.5339      0.00000
      6      20.5559      0.00000

 k-point  99 :       0.4737    0.4737    0.0000
  band No.  band energies     occupation 
      1       4.6866      1.00000
      2       6.9496      1.04386
      3      13.3513      0.00000
      4      13.7125      0.00000
      5      13.7125      0.00000
      6      17.2184      0.00000

 k-point 100 :      -0.4737    0.4737    0.0000
  band No.  band energies     occupation 
      1       5.1738      1.00000
      2       6.5136      1.00000
      3      12.1479      0.00000
      4      13.7342      0.00000
      5      14.5275      0.00000
      6      17.6629      0.00000

 k-point 101 :       0.1579    0.1053    0.0526
  band No.  band energies     occupation 
      1      -2.6083      1.00000
      2      16.9967      0.00000
      3      17.8416      0.00000
      4      20.2935      0.00000
      5      22.0148      0.00000
      6      23.8512      0.00000

 k-point 102 :       0.2105    0.1053    0.0526
  band No.  band energies     occupation 
      1      -2.2319      1.00000
      2      15.1631      0.00000
      3      17.1239      0.00000
      4      20.3482      0.00000
      5      22.2222      0.00000
      6      22.9490      0.00000

 k-point 103 :       0.2632    0.1053    0.0526
  band No.  band energies     occupation 
      1      -1.7066      1.00000
      2      13.1529      0.00000
      3      16.7265      0.00000
      4      20.1700      0.00000
      5      21.2919      0.00000
      6      23.7123      0.00000

 k-point 104 :       0.3158    0.1053    0.0526
  band No.  band energies     occupation 
      1      -1.0341      1.00000
      2      11.1977      0.00000
      3      16.4812      0.00000
      4      20.0104      0.00000
      5      20.2567      0.00000
      6      23.7830      0.00000

 k-point 105 :       0.3684    0.1053    0.0526
  band No.  band energies     occupation 
      1      -0.2164      1.00000
      2       9.3384     -0.04611
      3      16.3720      0.00000
      4      19.3248      0.00000
      5      19.9444      0.00000
      6      22.9112      0.00000

 k-point 106 :       0.4211    0.1053    0.0526
  band No.  band energies     occupation 
      1       0.7439      1.00000
      2       7.5907      0.85632
      3      16.3957      0.00000
      4      18.5157      0.00000
      5      19.9923      0.00000
      6      22.1257      0.00000

 k-point 107 :       0.4737    0.1053    0.0526
  band No.  band energies     occupation 
      1       1.8436      1.00000
      2       5.9638      1.00000
      3      16.5501      0.00000
      4      17.8358      0.00000
      5      20.1613      0.00000
      6      21.4560      0.00000

 k-point 108 :      -0.4737    0.1053    0.0526
  band No.  band energies     occupation 
      1       3.0750      1.00000
      2       4.4682      1.00000
      3      16.8236      0.00000
      4      17.2990      0.00000
      5      20.4434      0.00000
      6      20.9214      0.00000

 k-point 109 :       0.2105    0.1579    0.0526
  band No.  band energies     occupation 
      1      -2.1067      1.00000
      2      15.7286      0.00000
      3      16.6825      0.00000
      4      19.1775      0.00000
      5      21.0241      0.00000
      6      21.3852      0.00000

 k-point 110 :       0.2632    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.6317      1.00000
      2      13.9799      0.00000
      3      16.0184      0.00000
      4      19.3579      0.00000
      5      19.8620      0.00000
      6      21.8851      0.00000

 k-point 111 :       0.3158    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.0093      1.00000
      2      12.0505      0.00000
      3      15.6916      0.00000
      4      18.7409      0.00000
      5      19.3091      0.00000
      6      22.9652      0.00000

 k-point 112 :       0.3684    0.1579    0.0526
  band No.  band energies     occupation 
      1      -0.2412      1.00000
      2      10.1768      0.00000
      3      15.5242      0.00000
      4      17.7495      0.00000
      5      19.2494      0.00000
      6      24.1114      0.00000

 k-point 113 :       0.4211    0.1579    0.0526
  band No.  band energies     occupation 
      1       0.6700      1.00000
      2       8.4013      0.24424
      3      15.4931      0.00000
      4      16.8867      0.00000
      5      19.2780      0.00000
      6      23.6177      0.00000

 k-point 114 :       0.4737    0.1579    0.0526
  band No.  band energies     occupation 
      1       1.7213      1.00000
      2       6.7401      1.03570
      3      15.5771      0.00000
      4      16.1746      0.00000
      5      19.4213      0.00000
      6      22.9317      0.00000

 k-point 115 :      -0.4737    0.1579    0.0526
  band No.  band energies     occupation 
      1       2.9078      1.00000
      2       5.2035      1.00000
      3      15.4582      0.00000
      4      15.9323      0.00000
      5      19.6883      0.00000
      6      22.3516      0.00000

 k-point 116 :      -0.4211    0.1579    0.0526
  band No.  band energies     occupation 
      1       3.7513      1.00000
      2       4.2719      1.00000
      3      15.0264      0.00000
      4      16.2711      0.00000
      5      20.0812      0.00000
      6      21.8928      0.00000

 k-point 117 :      -0.3684    0.1579    0.0526
  band No.  band energies     occupation 
      1       2.4984      1.00000
      2       5.6988      1.00000
      3      14.6981      0.00000
      4      16.7752      0.00000
      5      20.5940      0.00000
      6      21.5647      0.00000

 k-point 118 :      -0.3158    0.1579    0.0526
  band No.  band energies     occupation 
      1       1.3558      1.00000
      2       7.2757      1.03155
      3      14.5032      0.00000
      4      17.4155      0.00000
      5      21.1373      0.00000
      6      21.4528      0.00000

 k-point 119 :      -0.2632    0.1579    0.0526
  band No.  band energies     occupation 
      1       0.3506      1.00000
      2       8.9706     -0.04816
      3      14.4485      0.00000
      4      18.1865      0.00000
      5      21.1922      0.00000
      6      22.0629      0.00000

 k-point 120 :      -0.2105    0.1579    0.0526
  band No.  band energies     occupation 
      1      -0.5132      1.00000
      2      10.7661      0.00000
      3      14.5442      0.00000
      4      19.0833      0.00000
      5      21.2070      0.00000
      6      22.9041      0.00000

 k-point 121 :      -0.1579    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.2330      1.00000
      2      12.6131      0.00000
      3      14.8276      0.00000
      4      20.0968      0.00000
      5      21.2492      0.00000
      6      23.3476      0.00000

 k-point 122 :      -0.1053    0.1579    0.0526
  band No.  band energies     occupation 
      1      -1.8065      1.00000
      2      14.2543      0.00000
      3      15.5330      0.00000
      4      21.0538      0.00000
      5      21.1989      0.00000
      6      22.7253      0.00000

 k-point 123 :       0.2632    0.2105    0.0526
  band No.  band energies     occupation 
      1      -1.4073      1.00000
      2      14.6286      0.00000
      3      15.6547      0.00000
      4      18.1269      0.00000
      5      18.4230      0.00000
      6      20.4778      0.00000

 k-point 124 :       0.3158    0.2105    0.0526
  band No.  band energies     occupation 
      1      -0.8355      1.00000
      2      12.9685      0.00000
      3      15.0546      0.00000
      4      17.2492      0.00000
      5      18.4193      0.00000
      6      21.0882      0.00000

 k-point 125 :       0.3684    0.2105    0.0526
  band No.  band energies     occupation 
      1      -0.1180      1.00000
      2      11.1241      0.00000
      3      14.7993      0.00000
      4      16.2055      0.00000
      5      18.4672      0.00000
      6      22.2478      0.00000

 k-point 126 :       0.4211    0.2105    0.0526
  band No.  band energies     occupation 
      1       0.7431      1.00000
      2       9.3358     -0.05258
      3      14.6829      0.00000
      4      15.3171      0.00000
      5      18.5051      0.00000
      6      23.6454      0.00000

 k-point 127 :       0.4737    0.2105    0.0526
  band No.  band energies     occupation 
      1       1.7447      1.00000
      2       7.6477      0.83231
      3      14.3778      0.00000
      4      14.8917      0.00000
      5      18.6277      0.00000
      6      24.4715      0.00000

 k-point 128 :      -0.4737    0.2105    0.0526
  band No.  band energies     occupation 
      1       2.8826      1.00000
      2       6.0766      1.00000
      3      13.7729      0.00000
      4      15.0380      0.00000
      5      18.8651      0.00000
      6      23.9438      0.00000

 k-point 129 :      -0.4211    0.2105    0.0526
  band No.  band energies     occupation 
      1       4.1263      1.00000
      2       4.6574      1.00000
      3      13.2632      0.00000
      4      15.3620      0.00000
      5      19.2274      0.00000
      6      23.4573      0.00000

 k-point 130 :      -0.3684    0.2105    0.0526
  band No.  band energies     occupation 
      1       3.2929      1.00000
      2       5.5734      1.00000
      3      12.8874      0.00000
      4      15.8267      0.00000
      5      19.7169      0.00000
      6      23.0822      0.00000

 k-point 131 :      -0.3158    0.2105    0.0526
  band No.  band energies     occupation 
      1       2.1105      1.00000
      2       7.0927      1.06899
      3      12.6556      0.00000
      4      16.4263      0.00000
      5      20.3313      0.00000
      6      22.8224      0.00000

 k-point 132 :      -0.2632    0.2105    0.0526
  band No.  band energies     occupation 
      1       1.0622      1.00000
      2       8.7183      0.03336
      3      12.5821      0.00000
      4      17.1576      0.00000
      5      21.0629      0.00000
      6      22.6673      0.00000

 k-point 133 :      -0.2105    0.2105    0.0526
  band No.  band energies     occupation 
      1       0.1536      1.00000
      2      10.3935      0.00000
      3      12.7154      0.00000
      4      18.0174      0.00000
      5      21.8907      0.00000
      6      22.5629      0.00000

 k-point 134 :      -0.1579    0.2105    0.0526
  band No.  band energies     occupation 
      1      -0.6123      1.00000
      2      11.8462      0.00000
      3      13.3167      0.00000
      4      19.0005      0.00000
      5      22.1905      0.00000
      6      22.7712      0.00000

 k-point 135 :       0.3158    0.2632    0.0526
  band No.  band energies     occupation 
      1      -0.5135      1.00000
      2      13.7054      0.00000
      3      14.7668      0.00000
      4      15.8510      0.00000
      5      17.2274      0.00000
      6      19.7120      0.00000

 k-point 136 :       0.3684    0.2632    0.0526
  band No.  band energies     occupation 
      1       0.1530      1.00000
      2      12.1345      0.00000
      3      14.1962      0.00000
      4      14.7975      0.00000
      5      17.6147      0.00000
      6      20.3901      0.00000

 k-point 137 :       0.4211    0.2632    0.0526
  band No.  band energies     occupation 
      1       0.9630      1.00000
      2      10.3772      0.00000
      3      13.6457      0.00000
      4      14.2092      0.00000
      5      17.7598      0.00000
      6      21.6324      0.00000

 k-point 138 :       0.4737    0.2632    0.0526
  band No.  band energies     occupation 
      1       1.9135      1.00000
      2       8.6774      0.06752
      3      12.8582      0.00000
      4      14.1590      0.00000
      5      17.8919      0.00000
      6      23.1433      0.00000

 k-point 139 :      -0.4737    0.2632    0.0526
  band No.  band energies     occupation 
      1       3.0003      1.00000
      2       7.0801      1.05762
      3      12.1627      0.00000
      4      14.2971      0.00000
      5      18.1082      0.00000
      6      24.7260      0.00000

 k-point 140 :      -0.4211    0.2632    0.0526
  band No.  band energies     occupation 
      1       4.2120      1.00000
      2       5.6073      1.00000
      3      11.6003      0.00000
      4      14.5811      0.00000
      5      18.4394      0.00000
      6      25.1021      0.00000

 k-point 141 :      -0.3684    0.2632    0.0526
  band No.  band energies     occupation 
      1       4.2215      1.00000
      2       5.5866      1.00000
      3      11.1826      0.00000
      4      15.0035      0.00000
      5      18.8955      0.00000
      6      24.7272      0.00000

 k-point 142 :      -0.3158    0.2632    0.0526
  band No.  band energies     occupation 
      1       3.0051      1.00000
      2       7.0299      1.05688
      3      10.9261      0.00000
      4      15.5609      0.00000
      5      19.4778      0.00000
      6      24.4229      0.00000

 k-point 143 :      -0.2632    0.2632    0.0526
  band No.  band energies     occupation 
      1       1.9159      1.00000
      2       8.5318      0.12947
      3      10.8843      0.00000
      4      16.2510      0.00000
      5      20.1827      0.00000
      6      24.1729      0.00000

 k-point 144 :      -0.2105    0.2632    0.0526
  band No.  band energies     occupation 
      1       0.9642      1.00000
      2       9.8035      0.00000
      3      11.3336      0.00000
      4      17.0711      0.00000
      5      20.9999      0.00000
      6      23.6940      0.00000

 k-point 145 :       0.3684    0.3158    0.0526
  band No.  band energies     occupation 
      1       0.5705      1.00000
      2      12.9634      0.00000
      3      13.3002      0.00000
      4      14.1569      0.00000
      5      16.5005      0.00000
      6      19.0585      0.00000

 k-point 146 :       0.4211    0.3158    0.0526
  band No.  band energies     occupation 
      1       1.3284      1.00000
      2      11.4695      0.00000
      3      12.3089      0.00000
      4      13.6978      0.00000
      5      16.9791      0.00000
      6      19.8197      0.00000

 k-point 147 :       0.4737    0.3158    0.0526
  band No.  band energies     occupation 
      1       2.2264      1.00000
      2       9.8056      0.00000
      3      11.4277      0.00000
      4      13.6064      0.00000
      5      17.2172      0.00000
      6      21.1512      0.00000

 k-point 148 :      -0.4737    0.3158    0.0526
  band No.  band energies     occupation 
      1       3.2595      1.00000
      2       8.2006      0.37769
      3      10.6743      0.00000
      4      13.6956      0.00000
      5      17.4426      0.00000
      6      22.7605      0.00000

 k-point 149 :      -0.4211    0.3158    0.0526
  band No.  band energies     occupation 
      1       4.4177      1.00000
      2       6.7001      1.02402
      3      10.0648      0.00000
      4      13.9333      0.00000
      5      17.7522      0.00000
      6      24.4988      0.00000

 k-point 150 :      -0.3684    0.3158    0.0526
  band No.  band energies     occupation 
      1       5.2600      1.00000
      2       5.7450      1.00000
      3       9.6165      0.00000
      4      14.3108      0.00000
      5      18.1766      0.00000
      6      26.1008      0.00000

 k-point 151 :      -0.3158    0.3158    0.0526
  band No.  band energies     occupation 
      1       4.0357      1.00000
      2       7.0385      1.00068
      3       9.3838      0.00000
      4      14.8246      0.00000
      5      18.7245      0.00000
      6      26.1017      0.00000

 k-point 152 :      -0.2632    0.3158    0.0526
  band No.  band energies     occupation 
      1       2.9087      1.00000
      2       8.1334      0.67069
      3       9.6530      0.00000
      4      15.4722      0.00000
      5      19.3957      0.00000
      6      25.5489      0.00000

 k-point 153 :       0.4211    0.3684    0.0526
  band No.  band energies     occupation 
      1       1.8377      1.00000
      2      11.0253      0.00000
      3      12.4053      0.00000
      4      13.5978      0.00000
      5      15.9529      0.00000
      6      18.5470      0.00000

 k-point 154 :       0.4737    0.3684    0.0526
  band No.  band energies     occupation 
      1       2.6809      1.00000
      2      10.0610     -0.00013
      3      11.0509      0.00000
      4      13.2345      0.00000
      5      16.5214      0.00000
      6      19.3992      0.00000

 k-point 155 :      -0.4737    0.3684    0.0526
  band No.  band energies     occupation 
      1       3.6559      1.00000
      2       9.1521     -0.13872
      3       9.5922      0.00000
      4      13.2403      0.00000
      5      16.8512      0.00000
      6      20.8221      0.00000

 k-point 156 :      -0.4211    0.3684    0.0526
  band No.  band energies     occupation 
      1       4.7465      1.00000
      2       7.8719      0.88397
      3       8.7178     -0.02723
      4      13.4228      0.00000
      5      17.1695      0.00000
      6      22.5241      0.00000

 k-point 157 :      -0.3684    0.3684    0.0526
  band No.  band energies     occupation 
      1       5.8889      1.00000
      2       6.5014      1.00000
      3       8.2586      0.04300
      4      13.7523      0.00000
      5      17.5720      0.00000
      6      24.3626      0.00000

 k-point 158 :      -0.3158    0.3684    0.0526
  band No.  band energies     occupation 
      1       5.1955      1.00000
      2       6.8367      1.00000
      3       8.3220      0.00601
      4      14.2208      0.00000
      5      18.0880      0.00000
      6      26.2178      0.00000

 k-point 159 :       0.4737    0.4211    0.0526
  band No.  band energies     occupation 
      1       3.2722      1.00000
      2       8.9003     -0.02658
      3      12.0325      0.00000
      4      13.2403      0.00000
      5      15.5873      0.00000
      6      18.1968      0.00000

 k-point 160 :      -0.4737    0.4211    0.0526
  band No.  band energies     occupation 
      1       4.1779      1.00000
      2       8.0589      0.50700
      3      10.7592      0.00000
      4      12.9620      0.00000
      5      16.2457      0.00000
      6      19.1421      0.00000

 k-point 161 :      -0.4211    0.4211    0.0526
  band No.  band energies     occupation 
      1       5.1554      1.00000
      2       7.4153      1.01672
      3       9.2969     -0.01557
      4      13.0585      0.00000
      5      16.6672      0.00000
      6      20.6552      0.00000

 k-point 162 :      -0.3684    0.4211    0.0526
  band No.  band energies     occupation 
      1       5.9122      1.00000
      2       7.2015      1.00000
      3       7.9556      0.47293
      4      13.3321      0.00000
      5      17.0780      0.00000
      6      22.4443      0.00000

 k-point 163 :      -0.4737    0.4737    0.0526
  band No.  band energies     occupation 
      1       4.7805      1.00000
      2       7.0450      1.05219
      3      11.8458      0.00000
      4      13.0624      0.00000
      5      15.4044      0.00000
      6      18.0190      0.00000

 k-point 164 :      -0.4211    0.4737    0.0526
  band No.  band energies     occupation 
      1       5.3583      1.00000
      2       6.7069      1.00000
      3      10.6644      0.00000
      4      12.8715      0.00000
      5      16.1536      0.00000
      6      19.0556      0.00000

 k-point 165 :       0.3158    0.2105    0.1053
  band No.  band energies     occupation 
      1      -1.1087      1.00000
      2      13.1457      0.00000
      3      14.4938      0.00000
      4      18.6689      0.00000
      5      20.1155      0.00000
      6      21.9683      0.00000

 k-point 166 :       0.3684    0.2105    0.1053
  band No.  band energies     occupation 
      1      -0.4391      1.00000
      2      11.5962      0.00000
      3      13.8512      0.00000
      4      17.5887      0.00000
      5      20.4277      0.00000
      6      22.7652      0.00000

 k-point 167 :       0.4211    0.2105    0.1053
  band No.  band energies     occupation 
      1       0.3750      1.00000
      2       9.8354      0.00000
      3      13.6447      0.00000
      4      16.6324      0.00000
      5      20.5060      0.00000
      6      23.4475      0.00000

 k-point 168 :       0.4737    0.2105    0.1053
  band No.  band energies     occupation 
      1       1.3308      1.00000
      2       8.1260      0.45806
      3      13.6303      0.00000
      4      15.8071      0.00000
      5      20.6054      0.00000
      6      22.8041      0.00000

 k-point 169 :      -0.4737    0.2105    0.1053
  band No.  band energies     occupation 
      1       2.4250      1.00000
      2       6.5192      1.00064
      3      13.7618      0.00000
      4      15.1218      0.00000
      5      20.7943      0.00000
      6      22.1528      0.00000

 k-point 170 :      -0.4211    0.2105    0.1053
  band No.  band energies     occupation 
      1       3.6483      1.00000
      2       5.0375      1.00000
      3      13.9937      0.00000
      4      14.6139      0.00000
      5      21.0662      0.00000
      6      21.6405      0.00000

 k-point 171 :       0.3684    0.2632    0.1053
  band No.  band energies     occupation 
      1      -0.2167      1.00000
      2      12.2191      0.00000
      3      13.5971      0.00000
      4      16.1228      0.00000
      5      19.2494      0.00000
      6      21.2624      0.00000

 k-point 172 :       0.4211    0.2632    0.1053
  band No.  band energies     occupation 
      1       0.5467      1.00000
      2      10.7600      0.00000
      3      13.0247      0.00000
      4      15.1172      0.00000
      5      19.6670      0.00000
      6      22.1520      0.00000

 k-point 173 :       0.4737    0.2632    0.1053
  band No.  band energies     occupation 
      1       1.4521      1.00000
      2       9.0868     -0.05895
      3      12.8888      0.00000
      4      14.2507      0.00000
      5      19.8503      0.00000
      6      23.4513      0.00000

 k-point 174 :      -0.4737    0.2632    0.1053
  band No.  band energies     occupation 
      1       2.4960      1.00000
      2       7.4661      0.95090
      3      12.8992      0.00000
      4      13.5698      0.00000
      5      20.0487      0.00000
      6      23.7498      0.00000

 k-point 175 :      -0.4211    0.2632    0.1053
  band No.  band energies     occupation 
      1       3.6722      1.00000
      2       5.9521      1.00000
      3      12.7092      0.00000
      4      13.3816      0.00000
      5      20.3381      0.00000
      6      23.2278      0.00000

 k-point 176 :      -0.3684    0.2632    0.1053
  band No.  band energies     occupation 
      1       4.5050      1.00000
      2       5.0320      1.00000
      3      12.3063      0.00000
      4      13.6916      0.00000
      5      20.7382      0.00000
      6      22.7715      0.00000

 k-point 177 :      -0.3158    0.2632    0.1053
  band No.  band energies     occupation 
      1       3.2682      1.00000
      2       6.4318      1.00000
      3      11.9977      0.00000
      4      14.1935      0.00000
      5      21.2471      0.00000
      6      22.4284      0.00000

 k-point 178 :      -0.2632    0.2632    0.1053
  band No.  band energies     occupation 
      1       2.1339      1.00000
      2       7.9679      0.60014
      3      11.8388      0.00000
      4      14.8424      0.00000
      5      21.8012      0.00000
      6      22.2450      0.00000

 k-point 179 :      -0.2105    0.2632    0.1053
  band No.  band energies     occupation 
      1       1.1352      1.00000
      2       9.5556     -0.00880
      3      11.8866      0.00000
      4      15.6284      0.00000
      5      21.8634      0.00000
      6      22.6456      0.00000

 k-point 180 :      -0.1579    0.2632    0.1053
  band No.  band energies     occupation 
      1       0.2765      1.00000
      2      10.9182      0.00000
      3      12.4103      0.00000
      4      16.5460      0.00000
      5      21.4250      0.00000
      6      22.8621      0.00000

 k-point 181 :       0.4211    0.3158    0.1053
  band No.  band energies     occupation 
      1       0.8649      1.00000
      2      11.4765      0.00000
      3      12.8043      0.00000
      4      13.7504      0.00000
      5      18.5353      0.00000
      6      20.6501      0.00000

 k-point 182 :       0.4737    0.3158    0.1053
  band No.  band energies     occupation 
      1       1.7187      1.00000
      2      10.1056      0.00000
      3      12.2400      0.00000
      4      12.9007      0.00000
      5      19.0514      0.00000
      6      21.6270      0.00000

 k-point 183 :      -0.4737    0.3158    0.1053
  band No.  band energies     occupation 
      1       2.7107      1.00000
      2       8.5215      0.13872
      3      11.7809      0.00000
      4      12.5305      0.00000
      5      19.3331      0.00000
      6      23.0753      0.00000

 k-point 184 :      -0.4211    0.3158    0.1053
  band No.  band energies     occupation 
      1       3.8349      1.00000
      2       6.9932      1.07147
      3      11.1940      0.00000
      4      12.6272      0.00000
      5      19.6263      0.00000
      6      24.5002      0.00000

 k-point 185 :      -0.3684    0.3158    0.1053
  band No.  band energies     occupation 
      1       5.0547      1.00000
      2       5.6005      1.00000
      3      10.6999      0.00000
      4      12.9343      0.00000
      5      20.0092      0.00000
      6      24.4570      0.00000

 k-point 186 :      -0.3158    0.3158    0.1053
  band No.  band energies     occupation 
      1       4.2465      1.00000
      2       6.4667      1.00000
      3      10.3554      0.00000
      4      13.3983      0.00000
      5      20.5031      0.00000
      6      24.0803      0.00000

 k-point 187 :      -0.2632    0.3158    0.1053
  band No.  band energies     occupation 
      1       3.0760      1.00000
      2       7.8779      0.80414
      3      10.2219      0.00000
      4      14.0059      0.00000
      5      21.1106      0.00000
      6      23.7134      0.00000

 k-point 188 :      -0.2105    0.3158    0.1053
  band No.  band energies     occupation 
      1       2.0367      1.00000
      2       9.0611     -0.09706
      3      10.5821      0.00000
      4      14.7509      0.00000
      5      21.8204      0.00000
      6      23.0969      0.00000

 k-point 189 :       0.4737    0.3684    0.1053
  band No.  band energies     occupation 
      1       2.1293      1.00000
      2      10.9190      0.00000
      3      11.2452      0.00000
      4      12.4667      0.00000
      5      17.9930      0.00000
      6      20.1677      0.00000

 k-point 190 :      -0.4737    0.3684    0.1053
  band No.  band energies     occupation 
      1       3.0670      1.00000
      2       9.6202      0.00000
      3      10.4523      0.00000
      4      12.0391      0.00000
      5      18.6040      0.00000
      6      21.2334      0.00000

 k-point 191 :      -0.4211    0.3684    0.1053
  band No.  band energies     occupation 
      1       4.1338      1.00000
      2       8.1333      0.46401
      3       9.7705      0.00000
      4      12.0738      0.00000
      5      18.9806      0.00000
      6      22.7831      0.00000

 k-point 192 :      -0.3684    0.3684    0.1053
  band No.  band energies     occupation 
      1       5.3085      1.00000
      2       6.7071      1.00822
      3       9.2321     -0.01561
      4      12.3263      0.00000
      5      19.3664      0.00000
      6      24.5033      0.00000

 k-point 193 :      -0.3158    0.3684    0.1053
  band No.  band energies     occupation 
      1       5.3520      1.00000
      2       6.5755      1.00000
      3       8.9035     -0.00832
      4      12.7417      0.00000
      5      19.8401      0.00000
      6      25.7047      0.00000

 k-point 194 :      -0.2632    0.3684    0.1053
  band No.  band energies     occupation 
      1       4.1526      1.00000
      2       7.5774      1.00899
      3       9.0754      0.00000
      4      13.3040      0.00000
      5      20.4220      0.00000
      6      25.1166      0.00000

 k-point 195 :      -0.4737    0.4211    0.1053
  band No.  band energies     occupation 
      1       3.5601      1.00000
      2       9.1691     -0.05435
      3      10.5471      0.00000
      4      12.0538      0.00000
      5      17.6294      0.00000
      6      19.8366      0.00000

 k-point 196 :      -0.4211    0.4211    0.1053
  band No.  band energies     occupation 
      1       4.5577      1.00000
      2       8.4122      0.21353
      3       9.3976      0.00000
      4      11.7352      0.00000
      5      18.3334      0.00000
      6      20.9911      0.00000

 k-point 197 :      -0.3684    0.4211    0.1053
  band No.  band energies     occupation 
      1       5.6225      1.00000
      2       7.7148      1.02543
      3       8.1775      0.04018
      4      11.8781      0.00000
      5      18.8026      0.00000
      6      22.6307      0.00000

 k-point 198 :      -0.3158    0.4211    0.1053
  band No.  band energies     occupation 
      1       6.4667      1.00000
      2       6.5650      1.00000
      3       7.9527      0.34011
      4      12.2301      0.00000
      5      19.2790      0.00000
      6      24.4554      0.00000

 k-point 199 :      -0.4211    0.4737    0.1053
  band No.  band energies     occupation 
      1       5.0619      1.00000
      2       7.3288      1.02599
      3      10.3611      0.00000
      4      11.8617      0.00000
      5      17.4471      0.00000
      6      19.6684      0.00000

 k-point 200 :      -0.3684    0.4737    0.1053
  band No.  band energies     occupation 
      1       5.7275      1.00000
      2       7.0860      1.02472
      3       9.2918     -0.01587
      4      11.6382      0.00000
      5      18.2429      0.00000
      6      20.9094      0.00000

 k-point 201 :       0.4737    0.3158    0.1579
  band No.  band energies     occupation 
      1       1.3544      1.00000
      2      10.1754      0.00000
      3      11.6584      0.00000
      4      14.1482      0.00000
      5      20.7407      0.00000
      6      22.4635      0.00000

 k-point 202 :      -0.4737    0.3158    0.1579
  band No.  band energies     occupation 
      1       2.3022      1.00000
      2       8.9019     -0.03514
      3      11.2163      0.00000
      4      13.3140      0.00000
      5      21.3026      0.00000
      6      23.2586      0.00000

 k-point 203 :      -0.4211    0.3158    0.1579
  band No.  band energies     occupation 
      1       3.3857      1.00000
      2       7.4032      1.00313
      3      11.2426      0.00000
      4      12.6291      0.00000
      5      21.6170      0.00000
      6      23.0141      0.00000

 k-point 204 :      -0.3684    0.3158    0.1579
  band No.  band energies     occupation 
      1       4.5932      1.00000
      2       5.9647      1.00000
      3      11.4182      0.00000
      4      12.1461      0.00000
      5      21.9121      0.00000
      6      22.5539      0.00000

 k-point 205 :      -0.4737    0.3684    0.1579
  band No.  band energies     occupation 
      1       2.6140      1.00000
      2       9.6183      0.00000
      3      10.9939      0.00000
      4      11.9717      0.00000
      5      20.2106      0.00000
      6      22.0534      0.00000

 k-point 206 :      -0.4211    0.3684    0.1579
  band No.  band energies     occupation 
      1       3.6439      1.00000
      2       8.4319      0.18290
      3      10.5687      0.00000
      4      11.3029      0.00000
      5      20.8748      0.00000
      6      23.1770      0.00000

 k-point 207 :      -0.3684    0.3684    0.1579
  band No.  band energies     occupation 
      1       4.7984      1.00000
      2       7.0256      1.07347
      3      10.2964      0.00000
      4      11.1087      0.00000
      5      21.2977      0.00000
      6      24.1036      0.00000

 k-point 208 :      -0.3158    0.3684    0.1579
  band No.  band energies     occupation 
      1       5.6205      1.00000
      2       6.1184      1.00000
      3       9.9353      0.00000
      4      11.3747      0.00000
      5      21.7361      0.00000
      6      23.7835      0.00000

 k-point 209 :      -0.2632    0.3684    0.1579
  band No.  band energies     occupation 
      1       4.4085      1.00000
      2       7.4103      1.03163
      3       9.7253      0.00000
      4      11.8641      0.00000
      5      22.2478      0.00000
      6      23.3342      0.00000

 k-point 210 :      -0.2105    0.3684    0.1579
  band No.  band energies     occupation 
      1       3.2897      1.00000
      2       8.5044      0.17657
      3       9.9954      0.00000
      4      12.5159      0.00000
      5      22.5927      0.00000
      6      22.8157      0.00000

 k-point 211 :      -0.4211    0.4211    0.1579
  band No.  band energies     occupation 
      1       4.0386      1.00000
      2       9.2469     -0.05375
      3       9.5712      0.00000
      4      10.9065      0.00000
      5      19.8524      0.00000
      6      21.7564      0.00000

 k-point 212 :      -0.3684    0.4211    0.1579
  band No.  band energies     occupation 
      1       5.1251      1.00000
      2       8.1306      0.62678
      3       8.9981      0.00000
      4      10.6153      0.00000
      5      20.6126      0.00000
      6      22.9978      0.00000

 k-point 213 :      -0.3158    0.4211    0.1579
  band No.  band energies     occupation 
      1       6.2630      1.00000
      2       6.8311      1.00084
      3       8.5966     -0.01660
      4      10.8192      0.00000
      5      21.1306      0.00000
      6      24.5947      0.00000

 k-point 214 :      -0.2632    0.4211    0.1579
  band No.  band energies     occupation 
      1       5.5547      1.00000
      2       7.2070      1.00013
      3       8.6719     -0.00125
      4      11.2561      0.00000
      5      21.6602      0.00000
      6      24.7904      0.00000

 k-point 215 :      -0.3684    0.4737    0.1579
  band No.  band energies     occupation 
      1       5.5300      1.00000
      2       7.7896      0.91748
      3       9.0612      0.00000
      4      10.6629      0.00000
      5      19.6722      0.00000
      6      21.6029      0.00000

 k-point 216 :      -0.3158    0.4737    0.1579
  band No.  band energies     occupation 
      1       6.2818      1.00000
      2       7.5875      1.00147
      3       8.1449      0.02051
      4      10.4946      0.00000
      5      20.5246      0.00000
      6      22.9307      0.00000

 k-point 217 :      -0.3684    0.4211    0.2105
  band No.  band energies     occupation 
      1       4.7052      1.00000
      2       8.1335      0.61614
      3       9.4964      0.00000
      4      10.5372      0.00000
      5      22.2451      0.00000
      6      23.5208      0.00000

 k-point 218 :      -0.3158    0.4211    0.2105
  band No.  band energies     occupation 
      1       5.8741      1.00000
      2       7.1294      1.01462
      3       9.2563      0.00000
      4      10.0727      0.00000
      5      22.9952      0.00000
      6      23.5935      0.00000

 k-point 219 :      -0.3158    0.4737    0.2105
  band No.  band energies     occupation 
      1       6.1827      1.00000
      2       7.9481      1.01234
      3       8.3597      0.00000
      4       9.6617      0.00000
      5      22.0690      0.00000
      6      23.5832      0.00000

 k-point 220 :      -0.2632    0.4737    0.2105
  band No.  band energies     occupation 
      1       7.0104      1.00000
      2       7.0218      1.00000
      3       8.3554      0.00000
      4       9.5848      0.00000
      5      22.9451      0.00000
      6      24.6219      0.00000


--------------------------------------------------------------------------------------------------------


 soft charge-density along one line, spin component            1
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 soft charge-density along one line, spin component            2
         0         1         2         3         4         5         6         7         8         9
 total charge-density along one line
 
 pseudopotential strength for first ion, spin component:            1
  8.442  -0.006   0.000   0.000   0.000   0.000   0.000   0.000
 -0.006   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   1.988   0.000   0.000  -0.027   0.000   0.000
  0.000   0.000   0.000   1.988   0.000   0.000  -0.027   0.000
  0.000   0.000   0.000   0.000   1.988   0.000   0.000  -0.027
  0.000   0.000  -0.027   0.000   0.000  -0.012   0.000   0.000
  0.000   0.000   0.000  -0.027   0.000   0.000  -0.012   0.000
  0.000   0.000   0.000   0.000  -0.027   0.000   0.000  -0.012
 pseudopotential strength for first ion, spin component:            2
  8.442  -0.006   0.000   0.000   0.000   0.000   0.000   0.000
 -0.006   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   1.988   0.000   0.000  -0.027   0.000   0.000
  0.000   0.000   0.000   1.988   0.000   0.000  -0.027   0.000
  0.000   0.000   0.000   0.000   1.988   0.000   0.000  -0.027
  0.000   0.000  -0.027   0.000   0.000  -0.012   0.000   0.000
  0.000   0.000   0.000  -0.027   0.000   0.000  -0.012   0.000
  0.000   0.000   0.000   0.000  -0.027   0.000   0.000  -0.012
 total augmentation occupancy for first ion, spin component:            1
  1.315  -0.489   0.000   0.000   0.000   0.000   0.000   0.000
 -0.489   0.477   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.742   0.000   0.000  -0.149   0.000   0.000
  0.000   0.000   0.000   0.742   0.000   0.000  -0.149   0.000
  0.000   0.000   0.000   0.000   0.742   0.000   0.000  -0.149
  0.000   0.000  -0.149   0.000   0.000   0.035   0.000   0.000
  0.000   0.000   0.000  -0.149   0.000   0.000   0.035   0.000
  0.000   0.000   0.000   0.000  -0.149   0.000   0.000   0.035
 total augmentation occupancy for first ion, spin component:            2
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000
  0.000   0.000   0.000   0.000   0.000   0.000   0.000   0.000


------------------------ aborting loop because EDIFF is reached ----------------------------------------


 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.425   0.343   0.000   0.768
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
 


--------------------------------------------------------------------------------------------------------



  FREE ENERGIE OF THE ION-ELECTRON SYSTEM (eV)
  ---------------------------------------------------
  free  energy   TOTEN  =        -3.743359 eV

  energy  without entropy=       -3.743359  energy(sigma->0) =       -3.743359
 
    CHARGE:  cpu time    0.10: real time    0.10
    FORLOC:  cpu time    0.00: real time    0.00
    FORNL :  cpu time    0.28: real time    0.28
    STRESS:  cpu time    0.82: real time    0.82
    FORCOR:  cpu time    0.06: real time    0.06
    FORHAR:  cpu time    0.01: real time    0.01
    MIXING:  cpu time    0.00: real time    0.00

  FORCE on cell =-STRESS in cart. coord.  units (eV):
  Direction    XX          YY          ZZ          XY          YZ          ZX
  --------------------------------------------------------------------------------------
  Alpha Z    -0.20487    -0.20487    -0.20487
  Ewald     -24.55751   -24.55751   -24.55751     0.00000     0.00000     0.00000
  Hartree     0.03549     0.03549     0.03549     0.00000     0.00000     0.00000
  E(xc)      -8.57786    -8.57786    -8.57786     0.00000     0.00000     0.00000
  Local       0.39110     0.39110     0.39110     0.00000     0.00000     0.00000
  n-local    18.94530    18.59888    19.03840     0.46272    -0.60732     0.54193
  augment    -1.01915    -1.01915    -1.01915     0.00000     0.00000     0.00000
  Kinetic    12.48013    11.05239    21.71112    -9.68929     8.44714    -6.26264
  Fock        0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
  -------------------------------------------------------------------------------------
  Total       0.00927     0.00927     0.00927     0.00000     0.00000     0.00000
  in kB       0.90594     0.90594     0.90594     0.00000     0.00000     0.00000
  external pressure =        0.91 kB  Pullay stress =        0.00 kB


 VOLUME and BASIS-vectors are now :
 -----------------------------------------------------------------------------
  energy-cutoff  :      520.00
  volume of cell :       16.39
      direct lattice vectors                 reciprocal lattice vectors
     0.000000000  2.016319000  2.016319000    -0.247976635  0.247976635  0.247976635
     2.016319000  0.000000000  2.016319000     0.247976635 -0.247976635  0.247976635
     2.016319000  2.016319000  0.000000000     0.247976635  0.247976635 -0.247976635

  length of vectors
     2.851505676  2.851505676  2.851505676     0.429508130  0.429508130  0.429508130


 FORCES acting on ions
    electron-ion (+dipol)            ewald-force                    non-local-force                 convergence-correction
 -----------------------------------------------------------------------------------------------
   -.178E-15 0.423E-16 -.250E-14   -.794E-16 -.361E-16 0.105E-15   0.000E+00 -.207E-24 0.207E-24   -.803E-17 -.461E-17 -.195E-17
 -----------------------------------------------------------------------------------------------
   -.178E-15 0.423E-16 -.250E-14   -.794E-16 -.361E-16 0.105E-15   0.000E+00 -.207E-24 0.207E-24   -.803E-17 -.461E-17 -.195E-17
 
 
 POSITION                                       TOTAL-FORCE (eV/Angst)
 -----------------------------------------------------------------------------------
      0.00000      0.00000      0.00000         0.000000      0.000000      0.000000
 -----------------------------------------------------------------------------------
    total drift:                                0.000000      0.000000      0.000000


--------------------------------------------------------------------------------------------------------


    POTLOK:  cpu time    0.03: real time    0.03


--------------------------------------------------------------------------------------------------------


  FORCES: max atom, RMS     0.000000    0.000000
  FORCE total and by dimension    0.000000    0.000000
     LOOP+:  cpu time   46.44: real time   46.60
    4ORBIT:  cpu time    0.00: real time    0.00
 


 total charge     
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.425   0.343   0.000   0.768
 


 magnetization (x)
 
# of ion     s       p       d       tot
----------------------------------------
  1        0.000   0.000   0.000   0.000
 
 BZINTS: Fermi energy:  8.094245;  3.000000 electrons
         Band energy:  10.876169;  BLOECHL correction: -0.041851

 total amount of memory used by VASP on root node  33617. kBytes
========================================================================

   base      :    30000. kBytes
   nonl-proj :      451. kBytes
   fftplans  :      185. kBytes
   grid      :     2131. kBytes
   one-center:        6. kBytes
   wavefun   :      844. kBytes
 
  
  
 General timing and accounting informations for this job:
 ========================================================
  
                  Total CPU time used (sec):       50.194
                            User time (sec):       49.602
                          System time (sec):        0.592
                         Elapsed time (sec):       52.337
  
                   Maximum memory used (kb):       62900.
                   Average memory used (kb):           0.
  
                          Minor page faults:       277580
                          Major page faults:            5
                 Voluntary context switches:        18669
